[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 4-(trifluoromethyl)benzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c1-13-19(14(2)27(26-13)17-6-4-3-5-7-17)25-18(28)12-30-20(29)15-8-10-16(11-9-15)21(22,23)24/h3-11H,12H2,1-2H3,(H,25,28)