[5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate

Systemtic Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate Openeye Name: [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid [5-tert-butyl-2-(3-methylphenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-methylphenyl)pyrazol-3-yl] 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid [5-tert-butyl-2-(m-tolyl)pyrazol-3-yl] ester Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C(C)(C)C)OC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O2/c1-14-7-5-10-17(11-14)27-19(13-18(26-27)21(2,3)4)29-20(28)15-8-6-9-16(12-15)22(23,24)25/h5-13H,1-4H3