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

Systemtic Name: 2-(4-methylphenyl)-1-(2-phenoxyethanoyl)-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 1-(2-phenoxyacetyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-methylphenyl)-1-(1-oxo-2-phenoxyethyl)-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-methylphenyl)-1-(2-phenoxyacetyl)-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-(2-phenoxyacetyl)-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C29H30N4O4 MolecularWeight: 498.5729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)COC4=CC=CC=C4)C=CC(=C3)C(=O)N5CCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(=O)NC3=C(N2C(=O)COC4=CC=CC=C4)C=CC(=C3)C(=O)N5CCNCC5

InChI

InChI=1S/C29H30N4O4/c1-20-7-9-21(10-8-20)26-18-27(34)31-24-17-22(29(36)32-15-13-30-14-16-32)11-12-25(24)33(26)28(35)19-37-23-5-3-2-4-6-23/h2-12,17,26,30H,13-16,18-19H2,1H3,(H,31,34)