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

Systemtic Name: ethyl 3-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-8-fluoranyl-2-oxidanylidene-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Openeye Name: ethyl 3-[(4-ethoxycarbonyl-1-piperidyl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate CAS Name: 3-[(4-ethoxycarbonyl-1-piperidinyl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-8-fluoro-2-oxo-1,5-dihydro-1,5-benzodiazepine-4-carboxylate Traditional Name: 3-[(4-carbethoxypiperidino)methyl]-8-fluoro-2-keto-1,5-dihydro-1,5-benzodiazepine-4-carboxylic acid ethyl ester Formula: C21H26FN3O5 MolecularWeight: 419.446643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=C(NC3=C(C=C(C=C3)F)NC2=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=C(NC3=C(C=C(C=C3)F)NC2=O)C(=O)OCC

InChI

InChI=1S/C21H26FN3O5/c1-3-29-20(27)13-7-9-25(10-8-13)12-15-18(21(28)30-4-2)23-16-6-5-14(22)11-17(16)24-19(15)26/h5-6,11,13,23H,3-4,7-10,12H2,1-2H3,(H,24,26)