2-[1-[3,4-bis(fluoranyl)phenyl]ethyl]-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-[1-[3,4-bis(fluoranyl)phenyl]ethyl]-5-methyl-1H-pyrazol-3-one Openeye Name: 2-[1-(3,4-difluorophenyl)ethyl]-5-methyl-1H-pyrazol-3-one CAS Name: 2-[1-(3,4-difluorophenyl)ethyl]-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-[1-(3,4-difluorophenyl)ethyl]-5-methyl-1H-pyrazol-3-one Traditional Name: 2-[1-(3,4-difluorophenyl)ethyl]-5-methyl-3-pyrazolin-3-one Formula: C12H12F2N2O MolecularWeight: 238.233286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(N1)C(C)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CC1=CC(=O)N(N1)C(C)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H12F2N2O/c1-7-5-12(17)16(15-7)8(2)9-3-4-10(13)11(14)6-9/h3-6,8,15H,1-2H3