ethyl 6-(4-fluorophenyl)carbonyl-7,8-dihydro-1H-imidazo[4,5-d]azepine-4-carboxylate

Systemtic Name: ethyl 6-(4-fluorophenyl)carbonyl-7,8-dihydro-1H-imidazo[4,5-d]azepine-4-carboxylate Openeye Name: ethyl 6-(4-fluorobenzoyl)-7,8-dihydro-1H-imidazo[4,5-d]azepine-4-carboxylate CAS Name: 6-[(4-fluorophenyl)-oxomethyl]-7,8-dihydro-1H-imidazo[4,5-d]azepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-fluorobenzoyl)-7,8-dihydro-1H-imidazo[4,5-d]azepine-4-carboxylate Traditional Name: 6-(4-fluorobenzoyl)-7,8-dihydro-1H-imidaz[4,5-d]azepine-4-carboxylic acid ethyl ester Formula: C17H16FN3O3 MolecularWeight: 329.325643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CCC2=C1N=CN2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CN(CCC2=C1N=CN2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O3/c1-2-24-17(23)13-9-21(8-7-14-15(13)20-10-19-14)16(22)11-3-5-12(18)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H,19,20)