[3-(trifluoromethyl)phenyl] 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl] 5-tert-butyl-2-(phenylmethyl)pyrazole-3-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl] 2-benzyl-5-tert-butyl-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-2-(phenylmethyl)-3-pyrazolecarboxylic acid [3-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(trifluoromethyl)phenyl] 2-benzyl-5-tert-butylpyrazole-3-carboxylate Traditional Name: 2-benzyl-5-tert-butyl-pyrazole-3-carboxylic acid [3-(trifluoromethyl)phenyl] ester Formula: C22H21F3N2O2 MolecularWeight: 402.40955

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)OC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)OC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C22H21F3N2O2/c1-21(2,3)19-13-18(27(26-19)14-15-8-5-4-6-9-15)20(28)29-17-11-7-10-16(12-17)22(23,24)25/h4-13H,14H2,1-3H3