ethyl 4-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(4-carbomethoxy-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=C(C(=C(N3)C)C(=O)OC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C3=C(C(=C(N3)C)C(=O)OC)C)C

InChI

InChI=1S/C22H24N4O5/c1-6-31-22(29)17-13(4)23-14-9-7-8-10-15(14)25-19(17)26-20(27)18-11(2)16(12(3)24-18)21(28)30-5/h7-10,23-24H,6H2,1-5H3,(H,25,26,27)