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

Systemtic Name: 7-(1,4-diazepan-1-ylcarbonyl)-1-(3,4-dichlorophenyl)carbonyl-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(1,4-diazepane-1-carbonyl)-1-(3,4-dichlorobenzoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 7-[1,4-diazepan-1-yl(oxo)methyl]-1-[(3,4-dichlorophenyl)-oxomethyl]-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 7-(1,4-diazepane-1-carbonyl)-1-(3,4-dichlorobenzoyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 7-(1,4-diazepane-1-carbonyl)-1-(3,4-dichlorobenzoyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C29H28Cl2N4O3 MolecularWeight: 551.46362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28Cl2N4O3/c1-18-3-5-19(6-4-18)26-17-27(36)33-24-16-21(28(37)34-13-2-11-32-12-14-34)8-10-25(24)35(26)29(38)20-7-9-22(30)23(31)15-20/h3-10,15-16,26,32H,2,11-14,17H2,1H3,(H,33,36)