null CDK 0225161915 null 31 35 0 0 0 0 0 0 0 0999 V2000 -1.2548 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4453 -0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7203 -1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -2.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3565 -2.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 -1.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6316 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 -0.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9835 -0.7127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6682 -0.2525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0311 0.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 0.5445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 -0.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -0.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5976 -0.7689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 -1.5097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4116 -1.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 -0.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 -0.9373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4436 -1.3975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2848 -2.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5043 -2.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2171 1.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 1.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0402 1.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4031 2.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2262 2.1385 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6864 1.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3235 0.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 0.6568 0.0000 C 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 20 19 1 1 0 0 0 20 11 1 0 0 0 0 20 21 1 0 0 0 0 21 10 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 M END > CHEBI:127885 > [(1S,2aR,8bR)-1-(hydroxymethyl)-2-[(2-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(3-pyridinyl)methanone > 2 > C25H25N3O3 > 415.485 > 415.18959 > 0 > COC1=CC=CC=C1CN2[C@H]3CN(C4=CC=CC=C4[C@H]3[C@H]2CO)C(=O)C5=CN=CC=C5 > InChI=1S/C25H25N3O3/c1-31-23-11-5-2-7-18(23)14-27-21-15-28(25(30)17-8-6-12-26-13-17)20-10-4-3-9-19(20)24(21)22(27)16-29/h2-13,21-22,24,29H,14-16H2,1H3/t21-,22+,24+/m0/s1 > AVFJRCXGABTTSO-WMTXJRDZSA-N > LSM-39441 $$$$