4,5-dimethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one

Systemtic Name: 4,5-dimethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one Openeye Name: 4,5-dimethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one CAS Name: 4,5-dimethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one IUPAC Name: 4,5-dimethyl-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one Traditional Name: 4,5-dimethyl-2-[4-methyl-3-(trifluoromethyl)benzyl]-3-pyrazolin-3-one Formula: C14H15F3N2O MolecularWeight: 284.27691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2C(=O)C(=C(N2)C)C)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)CN2C(=O)C(=C(N2)C)C)C(F)(F)F

InChI

InChI=1S/C14H15F3N2O/c1-8-4-5-11(6-12(8)14(15,16)17)7-19-13(20)9(2)10(3)18-19/h4-6,18H,7H2,1-3H3