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

Systemtic Name: 2-(4-methylphenyl)-7-piperazin-1-ylcarbonyl-1-pyridin-4-ylcarbonyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one Openeye Name: 7-(piperazine-1-carbonyl)-2-(p-tolyl)-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one CAS Name: 2-(4-methylphenyl)-7-[oxo(1-piperazinyl)methyl]-1-[oxo(pyridin-4-yl)methyl]-3,5-dihydro-2H-1,5-benzodiazepin-4-one IUPAC Name: 2-(4-methylphenyl)-7-(piperazine-1-carbonyl)-1-(pyridine-4-carbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Traditional Name: 1-isonicotinoyl-7-(piperazine-1-carbonyl)-2-(p-tolyl)-3,5-dihydro-2H-1,5-benzodiazepin-4-one Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O3/c1-18-2-4-19(5-3-18)24-17-25(33)30-22-16-21(26(34)31-14-12-29-13-15-31)6-7-23(22)32(24)27(35)20-8-10-28-11-9-20/h2-11,16,24,29H,12-15,17H2,1H3,(H,30,33)