6-(2,4-dimethoxyphenyl)-9,9-dimethyl-5-(phenylcarbonyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(2,4-dimethoxyphenyl)-9,9-dimethyl-5-(phenylcarbonyl)-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Openeye Name: 5-benzoyl-6-(2,4-dimethoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one CAS Name: 5-benzoyl-6-(2,4-dimethoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one IUPAC Name: 5-benzoyl-6-(2,4-dimethoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-benzoyl-6-(2,4-dimethoxyphenyl)-9,9-dimethyl-6,6a,8,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one Formula: C30H30N2O4 MolecularWeight: 482.5702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=CC=C4)C5=C(C=C(C=C5)OC)OC)C

Isomeric SMILES

CC1(CC(=O)C2C(N(C3=CC=CC=C3NC2=C1)C(=O)C4=CC=CC=C4)C5=C(C=C(C=C5)OC)OC)C

InChI

InChI=1S/C30H30N2O4/c1-30(2)17-23-27(25(33)18-30)28(21-15-14-20(35-3)16-26(21)36-4)32(24-13-9-8-12-22(24)31-23)29(34)19-10-6-5-7-11-19/h5-17,27-28,31H,18H2,1-4H3