3-[[2,5-bis(fluoranyl)phenyl]methylamino]azepan-2-one

Systemtic Name: 3-[[2,5-bis(fluoranyl)phenyl]methylamino]azepan-2-one Openeye Name: 3-[(2,5-difluorophenyl)methylamino]azepan-2-one CAS Name: 3-[(2,5-difluorophenyl)methylamino]-2-azepanone IUPAC Name: 3-[(2,5-difluorophenyl)methylamino]azepan-2-one Traditional Name: 3-[(2,5-difluorobenzyl)amino]azepan-2-one Formula: C13H16F2N2O MolecularWeight: 254.275746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=C(C=CC(=C2)F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C13H16F2N2O/c14-10-4-5-11(15)9(7-10)8-17-12-3-1-2-6-16-13(12)18/h4-5,7,12,17H,1-3,6,8H2,(H,16,18)