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

Systemtic Name: 9-(4-tert-butylphenyl)-6-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Openeye Name: 9-(4-tert-butylphenyl)-6-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one CAS Name: 9-(4-tert-butylphenyl)-6-(3,4-dimethoxyphenyl)-5-(1-oxohexyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one IUPAC Name: 9-(4-tert-butylphenyl)-6-(3,4-dimethoxyphenyl)-5-hexanoyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Traditional Name: 9-(4-tert-butylphenyl)-5-caproyl-6-(3,4-dimethoxyphenyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-7-one Formula: C37H44N2O4 MolecularWeight: 580.75626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H44N2O4/c1-7-8-9-14-34(41)39-30-13-11-10-12-28(30)38-29-21-26(24-15-18-27(19-16-24)37(2,3)4)22-31(40)35(29)36(39)25-17-20-32(42-5)33(23-25)43-6/h10-13,15-20,23,26,36,38H,7-9,14,21-22H2,1-6H3