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

Systemtic Name: methyl 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methyl-5-oxidanylidene-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Openeye Name: methyl 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate CAS Name: 3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Traditional Name: 3-[[4-(2,3-dimethylphenyl)piperazino]methyl]-5-keto-7-methyl-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C(NC2=O)CN3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C(NC2=O)CN3CCN(CC3)C4=CC=CC(=C4C)C)C(=O)OC

InChI

InChI=1S/C25H30N4O3/c1-16-8-9-20-19(14-16)24(30)27-21(23(26-20)25(31)32-4)15-28-10-12-29(13-11-28)22-7-5-6-17(2)18(22)3/h5-9,14,26H,10-13,15H2,1-4H3,(H,27,30)