methyl 7-methyl-5-oxidanylidene-3-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-1,4-dihydro-1,4-benzodiazepine-2-carboxylate

Systemtic Name: methyl 7-methyl-5-oxidanylidene-3-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Openeye Name: methyl 3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate CAS Name: 3-[(4-benzoyl-1-piperazinyl)methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzoylpiperazin-1-yl)methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Traditional Name: 3-[(4-benzoylpiperazino)methyl]-5-keto-7-methyl-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(NC2=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(NC2=O)CN3CCN(CC3)C(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H26N4O4/c1-16-8-9-19-18(14-16)22(29)26-20(21(25-19)24(31)32-2)15-27-10-12-28(13-11-27)23(30)17-6-4-3-5-7-17/h3-9,14,25H,10-13,15H2,1-2H3,(H,26,29)