9-(4-methoxyphenyl)-6-(4-methylphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(4-methoxyphenyl)-6-(4-methylphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(4-methoxyphenyl)-6-(p-tolyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(4-methoxyphenyl)-6-(4-methylphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(4-methoxyphenyl)-6-(4-methylphenyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(4-methoxyphenyl)-6-(p-tolyl)-5,6,6a,8,9,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C27H26N2O2 MolecularWeight: 410.50754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2C3C(=O)CC(C=C3NC4=CC=CC=C4N2)C5=CC=C(C=C5)OC

InChI

InChI=1S/C27H26N2O2/c1-17-7-9-19(10-8-17)27-26-24(28-22-5-3-4-6-23(22)29-27)15-20(16-25(26)30)18-11-13-21(31-2)14-12-18/h3-15,20,26-29H,16H2,1-2H3