null CDK 0225161917 null 32 36 0 0 0 0 0 0 0 0999 V2000 -2.4806 2.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0205 2.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 2.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7372 3.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0859 3.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4488 2.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 1.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8345 1.9504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 2.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.2076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 1.7820 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 1.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 0.9850 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3606 0.3002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0454 -0.1600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5056 0.5248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8574 0.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 0.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2093 -0.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1325 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5902 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4844 -1.8033 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -0.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9847 -1.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0774 -0.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2543 -0.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 0.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1746 1.0972 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 6 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 13 12 1 1 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 13 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 15 25 1 6 0 0 0 25 26 1 0 0 0 0 14 27 1 1 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 32 11 1 0 0 0 0 M END > CHEBI:129411 > [(1S,2aS,8bS)-2-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(4-methoxyphenyl)methanone > 2 > C26H25ClN2O3 > 448.942 > 448.15537 > 0 > COC1=CC=C(C=C1)C(=O)N2C[C@@H]3[C@@H]([C@H](N3CC4=CC=C(C=C4)Cl)CO)C5=CC=CC=C52 > InChI=1S/C26H25ClN2O3/c1-32-20-12-8-18(9-13-20)26(31)29-15-23-25(21-4-2-3-5-22(21)29)24(16-30)28(23)14-17-6-10-19(27)11-7-17/h2-13,23-25,30H,14-16H2,1H3/t23-,24-,25+/m1/s1 > JBDQNBWFIJYPAM-SDHSZQHLSA-N > LSM-40962 $$$$