(4-methylphenyl) 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate

Systemtic Name: (4-methylphenyl) 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Openeye Name: p-tolyl 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)-4-pyrazolecarboxylic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid p-tolyl ester Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CCC#N

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2=CN(N=C2C3=CC=C(C=C3)Cl)CCC#N

InChI

InChI=1S/C20H16ClN3O2/c1-14-3-9-17(10-4-14)26-20(25)18-13-24(12-2-11-22)23-19(18)15-5-7-16(21)8-6-15/h3-10,13H,2,12H2,1H3