6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one

Systemtic Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-(1-oxohexyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 5-caproyl-6-(4-chlorophenyl)-9-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C33H35ClN2O4 MolecularWeight: 559.095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C33H35ClN2O4/c1-4-5-6-11-31(38)36-27-10-8-7-9-25(27)35-26-18-23(22-14-17-29(39-2)30(20-22)40-3)19-28(37)32(26)33(36)21-12-15-24(34)16-13-21/h7-10,12-17,20,23,33,35H,4-6,11,18-19H2,1-3H3