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

Systemtic Name: methyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-5-oxidanylidene-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Openeye Name: methyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Traditional Name: 3-[[4-(4-fluorophenyl)piperazino]methyl]-5-keto-7-methyl-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester Formula: C23H25FN4O3 MolecularWeight: 424.468003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25FN4O3/c1-15-3-8-19-18(13-15)22(29)26-20(21(25-19)23(30)31-2)14-27-9-11-28(12-10-27)17-6-4-16(24)5-7-17/h3-8,13,25H,9-12,14H2,1-2H3,(H,26,29)