null CDK 0225161917 null 28 31 0 0 0 0 0 0 0 0999 V2000 0.8988 -1.9561 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 -0.4530 -2.4190 0.0000 O 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 -0.1780 -1.0168 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 2 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 2 0 0 0 0 0 0 0 0 0 2.4436 -1.3975 0.0000 C 0 0 2 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 5.7661 2.8233 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1440 1.7195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6623 2.4453 0.0000 F 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 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 12 1 0 0 0 0 18 17 1 6 0 0 0 18 9 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 19 20 1 6 0 0 0 20 21 1 0 0 0 0 11 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END > CHEBI:129711 > 1-[(1R,2aS,8bS)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone > 2 > C20H25F3N2O3 > 398.420 > 398.18173 > 0 > C1COCCC1CN2[C@@H]3CN(C4=CC=CC=C4[C@@H]3[C@@H]2CO)C(=O)CC(F)(F)F > InChI=1S/C20H25F3N2O3/c21-20(22,23)9-18(27)25-11-16-19(14-3-1-2-4-15(14)25)17(12-26)24(16)10-13-5-7-28-8-6-13/h1-4,13,16-17,19,26H,5-12H2/t16-,17+,19+/m1/s1 > DJGMPCRJWDHKNS-AOIWGVFYSA-N > LSM-41262 $$$$