2-(4-methylphenyl)-N-[4-[[4-oxidanylidene-5-(4-propanoylpiperazin-1-yl)-2,3-dihydro-1,5-benzodiazepin-1-yl]carbonyl]phenyl]benzamide

Systemtic Name: 2-(4-methylphenyl)-N-[4-[[4-oxidanylidene-5-(4-propanoylpiperazin-1-yl)-2,3-dihydro-1,5-benzodiazepin-1-yl]carbonyl]phenyl]benzamide Openeye Name: N-[4-[4-oxo-5-(4-propanoylpiperazin-1-yl)-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]phenyl]-2-(p-tolyl)benzamide CAS Name: 2-(4-methylphenyl)-N-[4-[oxo-[4-oxo-5-[4-(1-oxopropyl)-1-piperazinyl]-2,3-dihydro-1,5-benzodiazepin-1-yl]methyl]phenyl]benzamide IUPAC Name: 2-(4-methylphenyl)-N-[4-[4-oxo-5-(4-propanoylpiperazin-1-yl)-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]phenyl]benzamide Traditional Name: N-[4-[4-keto-5-(4-propionylpiperazino)-2,3-dihydro-1,5-benzodiazepine-1-carbonyl]phenyl]-2-(p-tolyl)benzamide Formula: C37H37N5O4 MolecularWeight: 615.72078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)N2C(=O)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=C(C=C6)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)N2C(=O)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=C(C=C6)C

InChI

InChI=1S/C37H37N5O4/c1-3-34(43)39-22-24-40(25-23-39)42-33-11-7-6-10-32(33)41(21-20-35(42)44)37(46)28-16-18-29(19-17-28)38-36(45)31-9-5-4-8-30(31)27-14-12-26(2)13-15-27/h4-19H,3,20-25H2,1-2H3,(H,38,45)