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

Systemtic Name: ethyl 8-fluoranyl-2-oxidanylidene-3-[[4-(phenylmethyl)piperidin-1-yl]methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 3-[(4-benzyl-1-piperidyl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 8-fluoro-2-oxo-3-[[4-(phenylmethyl)-1-piperidinyl]methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-benzylpiperidin-1-yl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 3-[(4-benzylpiperidino)methyl]-8-fluoro-2-keto-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C25H28FN3O3 MolecularWeight: 437.506523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28FN3O3/c1-2-32-25(31)23-20(24(30)28-22-15-19(26)8-9-21(22)27-23)16-29-12-10-18(11-13-29)14-17-6-4-3-5-7-17/h3-9,15,18,27H,2,10-14,16H2,1H3,(H,28,30)