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

Systemtic Name: ethyl 8-fluoranyl-2-oxidanylidene-3-[(4-phenylpiperazin-1-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 8-fluoro-2-oxo-3-[(4-phenylpiperazin-1-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 8-fluoro-2-oxo-3-[(4-phenyl-1-piperazinyl)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-fluoro-2-oxo-3-[(4-phenylpiperazin-1-yl)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 8-fluoro-2-keto-3-[(4-phenylpiperazino)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C23H25FN4O3 MolecularWeight: 424.468003

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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