(9S)-9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (9S)-9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: (9S)-9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: (9S)-9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: (9S)-9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: (9S)-9-(3,4-dimethoxyphenyl)-6-methyl-5,8,9,10-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=CC=CC=C3N1)CC(CC2=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=C2C(=NC3=CC=CC=C3N1)C[C@@H](CC2=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C22H22N2O3/c1-13-22-18(24-17-7-5-4-6-16(17)23-13)10-15(11-19(22)25)14-8-9-20(26-2)21(12-14)27-3/h4-9,12,15,23H,10-11H2,1-3H3/t15-/m0/s1