2764 Marvin 12300703363D 42 45 0 0 0 0 999 V2000 -3.1796 -1.1073 -0.5833 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2366 3.7549 -0.3114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 6.0685 0.0273 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 6.0067 -1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 2.0576 -0.0269 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6837 -2.3608 -0.5308 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1558 -5.1267 -0.3427 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 1.6387 0.7505 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0049 1.2853 2.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9286 2.4702 1.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2257 1.2269 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 3.3447 -0.3378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.8221 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 -0.1838 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8025 -1.0196 -0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3763 -3.0070 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9817 -3.0579 -1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0213 3.9972 -0.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 3.2279 -0.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -4.5508 0.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8817 -4.6067 -1.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 0.9915 -0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 -0.4061 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0067 5.3656 -0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 0.9407 0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4915 0.4211 2.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 1.5735 2.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9746 2.3159 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4852 3.4516 2.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0601 3.8536 -0.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -0.6225 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1741 -2.7754 1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5536 -2.6184 1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3364 -2.6983 -2.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 -2.8368 -2.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 -4.9748 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7865 -4.8446 0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6055 -5.0566 -2.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1091 -4.9358 -2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1411 1.3963 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 -6.1374 -0.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4578 5.7166 0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 19 2 0 0 0 0 3 24 1 0 0 0 0 3 42 1 0 0 0 0 4 24 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 18 2 0 0 0 0 12 30 1 0 0 0 0 13 19 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 23 2 0 0 0 0 16 20 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 21 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END > 11 13 8 11 14 8 12 18 8 13 19 8 13 22 8 14 15 8 15 23 8 18 19 8 22 23 8 5 11 8 5 12 8 > InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24) > MYSWGUAQZAJSOK-UHFFFAOYSA-N > 1/1/N:9,10,20,21,16,17,22,14,12,8,13,18,23,11,15,19,24,1,7,6,5,2,3,4/E:(1,2)(3,4)(5,6)(23,24)/rA:42nFOOONNNCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s8s9;s5;s5;s11;d11;s6s14;s6;s6;d12;d2s13s18;s7s16;s7s17;d13;s1d15s22;s3d4s18;s8;s9;s9;s10;s10;s12;s14;s16;s16;s17;s17;s20;s20;s21;s21;s22;s7;s3;/rC:-3.1796,-1.1073,-.5833;-2.2366,3.7549,-.3114;-.8353,6.0685,.0273;.8586,6.0067,-1.124;1.2765,2.0576,-.0269;-.6837,-2.3608,-.5308;-1.1558,-5.1267,-.3427;2.3806,1.6387,.7505;2.0049,1.2853,2.2083;2.9286,2.4702,1.9346;.2257,1.2269,-.2785;1.2052,3.3447,-.3378;-1.065,1.8221,-.3838;.3336,-.1838,-.3871;-.8025,-1.0196,-.5043;-.3763,-3.007,.6948;-.9817,-3.0579,-1.7325;.0213,3.9972,-.4214;-1.1306,3.2279,-.3559;-.243,-4.5508,.6615;-.8817,-4.6067,-1.6956;-2.2025,.9915,-.5026;-2.0768,-.4061,-.538;.0067,5.3656,-.5236;3.0957,.9407,.308;2.4915,.4211,2.6611;1.0127,1.5735,2.5669;3.9746,2.3159,2.2017;2.4852,3.4516,2.1194;2.0601,3.8536,-.4376;1.257,-.6225,-.3668;-1.1741,-2.7754,1.4085;.5536,-2.6184,1.1235;-.3364,-2.6983,-2.5403;-2.0073,-2.8368,-2.0396;-.4904,-4.9748,1.6374;.7865,-4.8446,.4361;-1.6055,-5.0566,-2.3799;.1091,-4.9358,-2.0212;-3.1411,1.3963,-.5566;-1.0039,-6.1374,-.3594;-1.4578,5.7166,.5418; > C17 H18 F N3 O3 > 331.3415 > FC1C([H])=C2C(C(C(=O)O[H])=C([H])N(C2=C([H])C=1N1C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])C1([H])C([H])([H])C1([H])[H])=O > 2662 $$$$