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

Systemtic Name: methyl 7-bromanyl-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-oxidanylidene-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Openeye Name: methyl 7-bromo-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate CAS Name: 7-bromo-3-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 7-bromo-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Traditional Name: 7-bromo-3-[[4-(4-fluorophenyl)piperazino]methyl]-5-keto-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester Formula: C22H22BrFN4O3 MolecularWeight: 489.337483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=O)C2=C(N1)C=CC(=C2)Br)CN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=C(NC(=O)C2=C(N1)C=CC(=C2)Br)CN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22BrFN4O3/c1-31-22(30)20-19(26-21(29)17-12-14(23)2-7-18(17)25-20)13-27-8-10-28(11-9-27)16-5-3-15(24)4-6-16/h2-7,12,25H,8-11,13H2,1H3,(H,26,29)