9-(3,4-dimethoxyphenyl)-6-(2-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 9-(3,4-dimethoxyphenyl)-6-(2-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(3,4-dimethoxyphenyl)-6-(o-tolyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(3,4-dimethoxyphenyl)-6-(2-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(3,4-dimethoxyphenyl)-6-(2-methylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(3,4-dimethoxyphenyl)-6-(o-tolyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2

Isomeric SMILES

CC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC5=CC=CC=C5N2

InChI

InChI=1S/C28H28N2O3/c1-17-8-4-5-9-20(17)28-27-23(29-21-10-6-7-11-22(21)30-28)14-19(15-24(27)31)18-12-13-25(32-2)26(16-18)33-3/h4-13,16,19,28-30H,14-15H2,1-3H3