1019 3D 69 73 0 0 0 0 0 0 0 0999 V2000 10.6706 -6.9963 -5.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1556 -6.0530 -6.1038 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 -5.8637 -7.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2845 -4.7834 -7.2214 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0370 -3.6854 -6.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0793 -2.7296 -6.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7564 -1.5955 -5.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7665 -0.7329 -5.6569 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5071 0.3085 -4.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5736 1.1759 -4.4846 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3507 0.9166 -3.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7496 0.8578 -2.1072 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5247 0.5997 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9000 0.3976 -1.0635 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6456 0.1566 0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8475 -0.6762 0.2123 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0867 0.0462 -0.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2624 -0.8809 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1309 -2.1302 0.3568 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3498 -2.9395 0.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2331 -2.5826 1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9421 -2.8787 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7417 -1.9790 -0.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4953 0.4938 -2.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7258 0.7414 -3.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2916 0.5515 -4.2734 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3105 -0.3230 -4.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.4192 -5.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4955 -2.2692 -5.6081 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4210 -2.8891 -8.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6643 -4.0037 -8.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -4.1536 -9.9647 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5977 -4.9671 -8.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9661 -6.1398 -9.0161 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8618 -6.6902 -8.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4757 -8.0187 -8.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5345 -6.4689 -6.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7640 -6.6113 -4.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4579 -7.9979 -5.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4337 -7.0977 -4.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3018 -5.0655 -5.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7505 -6.0216 -7.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 -6.1304 -5.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6327 -7.5564 -6.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5641 -3.5784 -5.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6854 -2.1580 -8.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1672 1.3057 -5.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2106 0.7952 -4.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9793 0.5677 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8825 1.1381 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9542 -0.3087 0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5643 0.3668 -2.4532 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9806 0.7615 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3373 0.6320 0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8228 -2.4884 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6956 -1.8741 -1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3012 -1.0816 -1.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1887 -0.3581 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1225 -4.0115 0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9025 -2.7816 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1631 -3.5059 -0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6524 -3.5493 0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5405 -1.5318 1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7108 -2.7661 2.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1409 -3.1933 1.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3484 -0.1176 -4.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4725 -7.9078 -8.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5447 -8.6146 -7.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8640 -8.5870 -9.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 26 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 41 1 0 0 0 0 37 42 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 0 0 0 0 5 45 1 0 0 0 0 30 46 1 0 0 0 0 10 47 1 0 0 0 0 25 48 1 0 0 0 0 13 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 24 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 21 65 1 0 0 0 0 27 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > 112.58413310949413 > InChI=1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34) > UZWDCWONPYILKI-UHFFFAOYSA-N > 1/1/N:21,1,37,36,20,24,25,18,22,17,23,30,5,13,27,15,2,35,14,6,31,28,4,11,7,33,9,32,29,12,26,34,10,8,19,16,3/E:(2,3)(8,9)(10,11)/rA:69nCCNCCCCNCNCNCCCNCCNCCCCCCNCCFCCFCNCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;s10;d11;s12;d13;s14;s15;s16;s17;s18;s19;s20;s19;s16s22;s14;s11d24;d9;s26;s7d27;s28;d6;s30;s31;s4d31;s33;s3d34;s35;s2;s1;s1;s1;s2;s37;s37;s37;s5;s30;s10;s25;s13;s15;s15;s24;s17;s17;s23;s23;s18;s18;s20;s20;s22;s22;s21;s21;s21;s27;s36;s36;s36;/rC:10.6706,-6.9963,-5.0041;11.1556,-6.053,-6.1038;10.1482,-5.8637,-7.148;9.2845,-4.7834,-7.2214;9.037,-3.6854,-6.3811;8.0793,-2.7296,-6.7854;7.7564,-1.5955,-5.9168;8.7665,-.7329,-5.6569;8.5071,.3085,-4.8232;9.5736,1.1759,-4.4846;10.3507,.9166,-3.3213;9.7496,.8578,-2.1072;10.5247,.5997,-1.027;11.9,.3976,-1.0635;12.6456,.1566,.2283;13.8475,-.6762,.2123;15.0867,.0462,-.0638;16.2624,-.8809,-.3897;16.1309,-2.1302,.3568;17.3498,-2.9395,.3066;18.2331,-2.5826,1.4951;14.9421,-2.8787,-.073;13.7417,-1.979,-.4257;12.4953,.4938,-2.3203;11.7258,.7414,-3.4563;7.2916,.5515,-4.2734;6.3105,-.323,-4.561;6.5,-1.4192,-5.3677;5.4955,-2.2692,-5.6081;7.421,-2.8891,-8.0148;7.6643,-4.0037,-8.8197;6.9841,-4.1536,-9.9647;8.5977,-4.9671,-8.4155;8.9661,-6.1398,-9.0161;9.8618,-6.6902,-8.219;10.4757,-8.0187,-8.4656;12.5345,-6.4689,-6.6286;9.764,-6.6113,-4.5258;10.4579,-7.9979,-5.3879;11.4337,-7.0977,-4.2241;11.3018,-5.0655,-5.6485;12.7505,-6.0216,-7.6047;13.3154,-6.1304,-5.9373;12.6327,-7.5564,-6.7148;9.5641,-3.5784,-5.4372;6.6854,-2.158,-8.3444;10.1672,1.3057,-5.3025;12.2106,.7952,-4.4273;9.9793,.5677,-.0886;12.8825,1.1381,.66;11.9542,-.3087,.9438;13.5643,.3668,-2.4532;14.9806,.7615,-.8851;15.3373,.632,.8294;12.8228,-2.4884,-.1112;13.6956,-1.8741,-1.5159;16.3012,-1.0816,-1.4686;17.1887,-.3581,-.1249;17.1225,-4.0115,.3584;17.9025,-2.7816,-.6286;15.1631,-3.5059,-.9467;14.6524,-3.5493,.7453;18.5405,-1.5318,1.469;17.7108,-2.7661,2.4402;19.1409,-3.1933,1.4882;5.3484,-.1176,-4.1052;11.4725,-7.9078,-8.9013;10.5447,-8.6146,-7.5529;9.864,-8.587,-9.1749; > C27 H32 F2 N8 > 506.5934 > C([H])([H])([H])C([H])(C([H])([H])[H])N1C(C([H])([H])[H])=NC2=C(F)C([H])=C(C3C(F)=C([H])N=C([N@]([H])C4C([H])=C([H])C(C([H])([H])[N@]5C([H])([H])C([H])([H])[N@@](C([H])([H])C([H])([H])[H])C([H])([H])C5([H])[H])=C([H])N=4)N=3)C([H])=C12 > 29340700 $$$$