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

Systemtic Name: 1-(3-bromophenyl)carbonyl-2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(3-bromobenzoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 1-[(3-bromophenyl)-oxomethyl]-2-(4-methylphenyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 1-(3-bromobenzoyl)-2-(4-methylphenyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(3-bromobenzoyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C28H27BrN4O3 MolecularWeight: 547.44298

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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)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)C4=CC(=CC=C4)Br)C=CC(=C3)C(=O)N5CCNCC5

InChI

InChI=1S/C28H27BrN4O3/c1-18-5-7-19(8-6-18)25-17-26(34)31-23-16-21(27(35)32-13-11-30-12-14-32)9-10-24(23)33(25)28(36)20-3-2-4-22(29)15-20/h2-10,15-16,25,30H,11-14,17H2,1H3,(H,31,34)