[(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C20H16FN3O2 MolecularWeight: 349.358343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OC(C)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)O[C@H](C)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H16FN3O2/c1-13-3-5-15(6-4-13)19-18(20(25)26-14(2)11-22)12-24(23-19)17-9-7-16(21)8-10-17/h3-10,12,14H,1-2H3/t14-/m1/s1