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

Systemtic Name: ethyl 8-fluoranyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 8-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 8-fluoro-3-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-fluoro-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 8-fluoro-2-keto-3-[[4-(2-methoxyphenyl)piperazino]methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C24H27FN4O4 MolecularWeight: 454.493983

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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=C4OC

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H27FN4O4/c1-3-33-24(31)22-17(23(30)27-19-14-16(25)8-9-18(19)26-22)15-28-10-12-29(13-11-28)20-6-4-5-7-21(20)32-2/h4-9,14,26H,3,10-13,15H2,1-2H3,(H,27,30)