null CDK 0225161917 null 32 35 0 0 0 0 0 0 0 0999 V2000 -1.4084 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.9959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1626 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5792 -0.1709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.9959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 -2.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 -3.0584 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1187 -2.2334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4687 -2.2334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 1.8209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 2.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 3.4709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 3.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 2.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 4.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 4.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 5.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 5.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 5.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 4.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 5.9459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 6.3584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 4 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 6 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 9 17 1 1 0 0 0 17 18 1 0 0 0 0 8 19 1 1 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 22 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 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 25 1 0 0 0 0 29 31 1 0 0 0 0 31 32 3 0 0 0 0 M END > CHEBI:129603 > 3-[4-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile > 2 > C24H24F3N3O2 > 443.462 > 443.18206 > 0 > CC(=O)N1CC2(C1)[C@H]([C@H](N2CCC(F)(F)F)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N > InChI=1S/C24H24F3N3O2/c1-16(32)29-14-23(15-29)22(21(13-31)30(23)10-9-24(25,26)27)19-7-5-18(6-8-19)20-4-2-3-17(11-20)12-28/h2-8,11,21-22,31H,9-10,13-15H2,1H3/t21-,22+/m1/s1 > QZFUSVJIMZSOPS-YADHBBJMSA-N > LSM-41154 $$$$