(3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H21FN2O3/c1-22(2,3)19(26)14-28-21(27)18-13-25(17-7-5-4-6-8-17)24-20(18)15-9-11-16(23)12-10-15/h4-13H,14H2,1-3H3