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

Systemtic Name: [2-(4-fluorophenyl)-5-propyl-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Openeye Name: [2-(4-fluorophenyl)-5-propyl-pyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate CAS Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(4-fluorophenyl)-5-propyl-3-pyrazolyl] ester IUPAC Name: [2-(4-fluorophenyl)-5-propylpyrazol-3-yl] 3,5-bis(trifluoromethyl)benzoate Traditional Name: 3,5-bis(trifluoromethyl)benzoic acid [2-(4-fluorophenyl)-5-propyl-pyrazol-3-yl] ester Formula: C21H15F7N2O2 MolecularWeight: 460.344822

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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)F

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)F

InChI

InChI=1S/C21H15F7N2O2/c1-2-3-16-11-18(30(29-16)17-6-4-15(22)5-7-17)32-19(31)12-8-13(20(23,24)25)10-14(9-12)21(26,27)28/h4-11H,2-3H2,1H3