(6R,6aS,9S)-6-(3,4-dimethoxyphenyl)-5-propanoyl-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: (6R,6aS,9S)-6-(3,4-dimethoxyphenyl)-5-propanoyl-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: (6R,6aS,9S)-6-(3,4-dimethoxyphenyl)-5-propanoyl-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: (6R,6aS,9S)-6-(3,4-dimethoxyphenyl)-5-(1-oxopropyl)-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: (6R,6aS,9S)-6-(3,4-dimethoxyphenyl)-5-propanoyl-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: (6R,6aS,9S)-6-(3,4-dimethoxyphenyl)-5-propionyl-9-(3,4,5-trimethoxyphenyl)-6a,8,9,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C33H36N2O7 MolecularWeight: 572.64814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(C2C(=O)CC(C=C2NC3=CC=CC=C31)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CCC(=O)N1[C@H]([C@@H]2C(=O)C[C@@H](C=C2NC3=CC=CC=C31)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C33H36N2O7/c1-7-30(37)35-24-11-9-8-10-22(24)34-23-14-20(21-17-28(40-4)33(42-6)29(18-21)41-5)15-25(36)31(23)32(35)19-12-13-26(38-2)27(16-19)39-3/h8-14,16-18,20,31-32,34H,7,15H2,1-6H3/t20-,31+,32+/m1/s1