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

Systemtic Name: methyl 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: methyl 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid methyl ester IUPAC Name: methyl 3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 3-[[4-(2-fluorophenyl)piperazino]methyl]-2-keto-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid methyl ester Formula: C22H23FN4O3 MolecularWeight: 410.441423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=O)NC2=CC=CC=C2N1)CN3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

COC(=O)C1=C(C(=O)NC2=CC=CC=C2N1)CN3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C22H23FN4O3/c1-30-22(29)20-15(21(28)25-18-8-4-3-7-17(18)24-20)14-26-10-12-27(13-11-26)19-9-5-2-6-16(19)23/h2-9,24H,10-14H2,1H3,(H,25,28)