3-[(3-fluoranyl-4-methyl-phenyl)amino]azepan-2-one

Systemtic Name: 3-[(3-fluoranyl-4-methyl-phenyl)amino]azepan-2-one Openeye Name: 3-(3-fluoro-4-methyl-anilino)azepan-2-one CAS Name: 3-(3-fluoro-4-methylanilino)-2-azepanone IUPAC Name: 3-(3-fluoro-4-methylanilino)azepan-2-one Traditional Name: 3-(3-fluoro-4-methyl-anilino)azepan-2-one Formula: C13H17FN2O MolecularWeight: 236.285283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCCNC2=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2CCCCNC2=O)F

InChI

InChI=1S/C13H17FN2O/c1-9-5-6-10(8-11(9)14)16-12-4-2-3-7-15-13(12)17/h5-6,8,12,16H,2-4,7H2,1H3,(H,15,17)