(6S,6aS,9R)-9-(4-chlorophenyl)-6-(4-dimethylaminophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6S,6aS,9R)-9-(4-chlorophenyl)-6-(4-dimethylaminophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (6S,6aS,9R)-9-(4-chlorophenyl)-6-(4-dimethylaminophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (6S,6aS,9R)-9-(4-chlorophenyl)-6-(4-dimethylaminophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6S,6aS,9R)-9-(4-chlorophenyl)-6-(4-dimethylaminophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (6S,6aS,9R)-9-(4-chlorophenyl)-6-(4-dimethylaminophenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C27H26ClN3O MolecularWeight: 443.96784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3C(=O)C[C@H](C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN3O/c1-31(2)21-13-9-18(10-14-21)27-26-24(29-22-5-3-4-6-23(22)30-27)15-19(16-25(26)32)17-7-11-20(28)12-8-17/h3-15,19,26-27,29-30H,16H2,1-2H3/t19-,26-,27+/m0/s1