ethyl 8-fluoranyl-2-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate

Systemtic Name: ethyl 8-fluoranyl-2-oxidanylidene-3-[[4-(phenylmethyl)piperazin-1-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 3-[(4-benzylpiperazin-1-yl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 8-fluoro-2-oxo-3-[[4-(phenylmethyl)-1-piperazinyl]methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylpiperazin-1-yl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 3-[(4-benzylpiperazino)methyl]-8-fluoro-2-keto-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C24H27FN4O3 MolecularWeight: 438.494583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27FN4O3/c1-2-32-24(31)22-19(23(30)27-21-14-18(25)8-9-20(21)26-22)16-29-12-10-28(11-13-29)15-17-6-4-3-5-7-17/h3-9,14,26H,2,10-13,15-16H2,1H3,(H,27,30)