6-(2-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(2-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(2-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(2-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(2-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 6-(2-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C27H25ClN2O3 MolecularWeight: 460.952

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC(=O)C3C(NC4=CC=CC=C4NC3=C2)C5=CC=CC=C5Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3C(NC4=CC=CC=C4NC3=C2)C5=CC=CC=C5Cl)OC

InChI

InChI=1S/C27H25ClN2O3/c1-32-24-12-11-16(15-25(24)33-2)17-13-22-26(23(31)14-17)27(18-7-3-4-8-19(18)28)30-21-10-6-5-9-20(21)29-22/h3-13,15,17,26-27,29-30H,14H2,1-2H3