1-(4-tert-butylphenyl)carbonyl-7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one

Systemtic Name: 1-(4-tert-butylphenyl)carbonyl-7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(4-tert-butylbenzoyl)-7-(1,4-diazepane-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-7-[1,4-diazepan-1-yl(oxo)methyl]-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(4-tert-butylbenzoyl)-7-(1,4-diazepane-1-carbonyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(4-tert-butylbenzoyl)-7-(1,4-diazepane-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C33H38N4O3 MolecularWeight: 538.67982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)C(C)(C)C)C=CC(=C3)C(=O)N5CCCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC=C(C=C4)C(C)(C)C)C=CC(=C3)C(=O)N5CCCNCC5

InChI

InChI=1S/C33H38N4O3/c1-22-6-8-23(9-7-22)29-21-30(38)35-27-20-25(31(39)36-18-5-16-34-17-19-36)12-15-28(27)37(29)32(40)24-10-13-26(14-11-24)33(2,3)4/h6-15,20,29,34H,5,16-19,21H2,1-4H3,(H,35,38)