ethyl 2-methyl-4-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 2-methyl-4-[[1-(2-methylphenyl)carbonylpiperidin-4-yl]carbonylamino]-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 2-methyl-4-[[[1-[(2-methylphenyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-4-[[1-(2-methylbenzoyl)piperidine-4-carbonyl]amino]-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 2-methyl-4-[(1-o-toluoylisonipecotoyl)amino]-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)C(=O)C4=CC=CC=C4C)C

InChI

InChI=1S/C27H30N4O4/c1-4-35-27(34)23-18(3)28-21-11-7-8-12-22(21)29-24(23)30-25(32)19-13-15-31(16-14-19)26(33)20-10-6-5-9-17(20)2/h5-12,19,28H,4,13-16H2,1-3H3,(H,29,30,32)