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

Systemtic Name: 2-[1-(3-chloranyl-4-methyl-phenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Openeye Name: 2-[1-(3-chloro-4-methyl-phenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one CAS Name: 2-[1-(3-chloro-4-methylphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one IUPAC Name: 2-[1-(3-chloro-4-methylphenyl)ethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one Traditional Name: 2-[1-(3-chloro-4-methyl-phenyl)ethyl]-5-(trifluoromethyl)-3-pyrazolin-3-one Formula: C13H12ClF3N2O MolecularWeight: 304.69539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)N2C(=O)C=C(N2)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)N2C(=O)C=C(N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H12ClF3N2O/c1-7-3-4-9(5-10(7)14)8(2)19-12(20)6-11(18-19)13(15,16)17/h3-6,8,18H,1-2H3