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

Systemtic Name: 1-(3-bromophenyl)carbonyl-7-(1,4-diazepan-1-ylcarbonyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(3-bromobenzoyl)-7-(1,4-diazepane-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[(3-bromophenyl)-oxomethyl]-7-[1,4-diazepan-1-yl(oxo)methyl]-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(3-bromobenzoyl)-7-(1,4-diazepane-1-carbonyl)-2-(4-methylphenyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(3-bromobenzoyl)-7-(1,4-diazepane-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C29H29BrN4O3 MolecularWeight: 561.46956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29BrN4O3/c1-19-6-8-20(9-7-19)26-18-27(35)32-24-17-22(28(36)33-14-3-12-31-13-15-33)10-11-25(24)34(26)29(37)21-4-2-5-23(30)16-21/h2,4-11,16-17,26,31H,3,12-15,18H2,1H3,(H,32,35)