2474 Marvin 12300703363D 49 50 0 0 1 0 999 V2000 -1.4052 1.6094 -0.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0359 -0.8013 0.6606 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6123 0.8947 -1.0283 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2572 -0.6142 -0.6240 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0844 -0.8464 -1.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1443 -1.8080 0.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -2.0260 -1.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 -1.8498 -0.6001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2755 -0.7077 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 0.7146 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2755 -1.8675 2.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -1.7871 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 1.9194 -1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5164 -2.9976 3.6292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8609 1.5150 -1.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1928 3.3255 -1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 2.4889 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 4.2590 -1.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 0.1213 -1.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 3.9502 -1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5828 3.8528 -1.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4875 -1.3905 -0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4074 -1.0362 -2.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6668 0.0422 -2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 -1.5875 1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7483 -2.8123 0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 -2.0724 -2.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5365 -2.9730 -1.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5729 -0.9247 -0.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7109 -2.6756 -0.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 -0.6589 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7332 0.2395 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8289 -2.8085 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4274 -1.9070 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1593 -0.8692 3.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 -1.7517 4.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 0.0694 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 -2.9192 4.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2044 -3.0457 2.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9486 -3.9300 3.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8666 2.2325 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0874 5.2701 -1.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 0.0159 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 -0.0967 -2.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 -0.6746 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7744 3.5012 -2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6161 3.8471 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1851 5.0255 -1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3300 4.5451 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 M END > 13 15 8 13 16 8 15 17 8 16 18 8 17 21 8 18 21 8 4 10 3 > InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)/t16-/m0/s1 > LEBVLXFERQHONN-INIZCTEOSA-N > 1/1/N:14,19,20,12,11,7,8,21,17,18,5,9,6,15,16,4,13,10,3,2,1/E:(2,3)(9,10)(14,15)/it:im/rA:49cONNCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;s2;s4;s2;s5;s6s7;s2;d1s3s4;s9;s11;s3;s12;d13;s13;s15;d16;s15;s16;d17s18;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s11;s11;s12;s12;s3;s14;s14;s14;s17;s18;s19;s19;s19;s20;s20;s20;s21;/rC:-1.4052,1.6094,-.3797;-2.0359,-.8013,.6606;.6123,.8947,-1.0283;-1.2572,-.6142,-.624;-2.0844,-.8464,-1.9294;-3.1443,-1.808,.6872;-3.08,-2.026,-1.8306;-3.996,-1.8498,-.6001;-1.2755,-.7077,1.952;-.6377,.7146,-.6895;-.2755,-1.8675,2.1955;.5652,-1.7871,3.491;1.4883,1.9194,-1.1721;1.5164,-2.9976,3.6292;2.8609,1.515,-1.2897;1.1928,3.3255,-1.2458;3.8784,2.4889,-1.4453;2.2509,4.259,-1.3712;3.404,.1213,-1.2712;-.158,3.9502,-1.2379;3.5828,3.8528,-1.4732;-.4875,-1.3905,-.6592;-1.4074,-1.0362,-2.7686;-2.6668,.0422,-2.1922;-3.8236,-1.5875,1.5158;-2.7483,-2.8123,.8544;-3.6905,-2.0724,-2.7361;-2.5365,-2.973,-1.7581;-4.5729,-.9247,-.6914;-4.7109,-2.6756,-.5469;-1.9736,-.6589,2.793;-.7332,.2395,1.9924;-.8289,-2.8085,2.208;.4274,-1.907,1.3623;1.1593,-.8692,3.4851;-.0964,-1.7517,4.3604;.9982,.0694,-1.2121;2.1048,-2.9192,4.5438;2.2044,-3.0457,2.7821;.9486,-3.93,3.6647;4.8666,2.2325,-1.54;2.0874,5.2701,-1.4004;4.1476,.0159,-.4774;3.8935,-.0967,-2.2239;2.6821,-.6746,-1.1062;-.7744,3.5012,-2.0184;-.6161,3.8471,-.2555;-.1851,5.0255,-1.4305;4.33,4.5451,-1.5728; > C18 H28 N2 O > 288.4277 > O=C([C@]1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N@]1C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])N([H])C1C(C([H])([H])[H])=C([H])C([H])=C([H])C=1C([H])([H])[H] > 2380 $$$$