[2-(4-methylphenyl)-5-propyl-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate

Systemtic Name: [2-(4-methylphenyl)-5-propyl-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [5-propyl-2-(p-tolyl)pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(4-methylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(4-methylphenyl)-5-propylpyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [5-propyl-2-(p-tolyl)pyrazol-3-yl] ester Formula: C22H18F6N2O2 MolecularWeight: 456.380939

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=NN(C(=C1)OC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H18F6N2O2/c1-3-4-17-12-19(30(29-17)18-7-5-13(2)6-8-18)32-20(31)14-9-15(21(23,24)25)11-16(10-14)22(26,27)28/h5-12H,3-4H2,1-2H3