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

Systemtic Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-(trifluoromethyl)benzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-(2,4-dimethylphenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-propylpyrazol-3-yl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-(2,4-dimethylphenyl)-5-propyl-pyrazol-3-yl] ester Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O2/c1-4-5-18-13-20(27(26-18)19-11-6-14(2)12-15(19)3)29-21(28)16-7-9-17(10-8-16)22(23,24)25/h6-13H,4-5H2,1-3H3