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

Systemtic Name: methyl 7-methyl-5-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Openeye Name: methyl 3-[(4-benzylpiperazin-1-yl)methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate CAS Name: 7-methyl-5-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-benzylpiperazin-1-yl)methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Traditional Name: 3-[(4-benzylpiperazino)methyl]-5-keto-7-methyl-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(NC2=O)CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(NC2=O)CN3CCN(CC3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H28N4O3/c1-17-8-9-20-19(14-17)23(29)26-21(22(25-20)24(30)31-2)16-28-12-10-27(11-13-28)15-18-6-4-3-5-7-18/h3-9,14,25H,10-13,15-16H2,1-2H3,(H,26,29)