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

Systemtic Name: ethyl 8-fluoranyl-3-[(3-methylpiperidin-1-yl)methyl]-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 8-fluoro-3-[(3-methyl-1-piperidyl)methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 8-fluoro-3-[(3-methyl-1-piperidinyl)methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-fluoro-3-[(3-methylpiperidin-1-yl)methyl]-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 8-fluoro-2-keto-3-[(3-methylpiperidino)methyl]-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C19H24FN3O3 MolecularWeight: 361.410563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)NC2=C(N1)C=CC(=C2)F)CN3CCCC(C3)C

InChI

InChI=1S/C19H24FN3O3/c1-3-26-19(25)17-14(11-23-8-4-5-12(2)10-23)18(24)22-16-9-13(20)6-7-15(16)21-17/h6-7,9,12,21H,3-5,8,10-11H2,1-2H3,(H,22,24)