null CDK 0225161911 null 24 27 0 0 0 0 0 0 0 0999 V2000 -7.0599 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2349 -0.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2349 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3474 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 0.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1901 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 0.1770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -0.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5437 0.1770 0.0000 N 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 9 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 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 1 0 0 0 23 18 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 M END > CHEBI:125080 > 4-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide > 2 > C20H23N3O > 321.417 > 321.18411 > 0 > CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4 > InChI=1S/C20H23N3O/c1-23(2)20(24)16-9-5-14(6-10-16)13-3-7-15(8-4-13)19-17-11-21-12-18(19)22-17/h3-10,17-19,21-22H,11-12H2,1-2H3/t17-,18+,19? > JMXXLVJTBCYGCG-DFNIBXOVSA-N > LSM-36542 $$$$