4-[[2-(4-methylphenyl)-4-oxidanylidene-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[2-(4-methylphenyl)-4-oxidanylidene-7-piperazin-1-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[4-oxo-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-1-carbonyl]benzonitrile CAS Name: 4-[[2-(4-methylphenyl)-4-oxo-7-[oxo(1-piperazinyl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-1-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[2-(4-methylphenyl)-4-oxo-7-(piperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepine-1-carbonyl]benzonitrile Traditional Name: 4-[4-keto-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepine-1-carbonyl]benzonitrile Formula: C29H27N5O3 MolecularWeight: 493.55638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N5O3/c1-19-2-6-21(7-3-19)26-17-27(35)32-24-16-23(28(36)33-14-12-31-13-15-33)10-11-25(24)34(26)29(37)22-8-4-20(18-30)5-9-22/h2-11,16,26,31H,12-15,17H2,1H3,(H,32,35)