3-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-(hydroxymethyl)azepan-2-one

Systemtic Name: 3-azanyl-6-[2,3-bis(fluoranyl)phenyl]-7-(hydroxymethyl)azepan-2-one Openeye Name: 3-amino-6-(2,3-difluorophenyl)-7-(hydroxymethyl)azepan-2-one CAS Name: 3-amino-6-(2,3-difluorophenyl)-7-(hydroxymethyl)-2-azepanone IUPAC Name: 3-amino-6-(2,3-difluorophenyl)-7-(hydroxymethyl)azepan-2-one Traditional Name: 3-amino-6-(2,3-difluorophenyl)-7-methylol-azepan-2-one Formula: C13H16F2N2O2 MolecularWeight: 270.275146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NC(C1C2=C(C(=CC=C2)F)F)CO)N

Isomeric SMILES

C1CC(C(=O)NC(C1C2=C(C(=CC=C2)F)F)CO)N

InChI

InChI=1S/C13H16F2N2O2/c14-9-3-1-2-8(12(9)15)7-4-5-10(16)13(19)17-11(7)6-18/h1-3,7,10-11,18H,4-6,16H2,(H,17,19)