cyanomethyl 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: cyanomethyl 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: cyanomethyl 3-(p-tolyl)-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(4-methylbenzyl)-3-(p-tolyl)pyrazole-4-carboxylic acid cyanomethyl ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)C3=CC=C(C=C3)C)C(=O)OCC#N

InChI

InChI=1S/C21H19N3O2/c1-15-3-7-17(8-4-15)13-24-14-19(21(25)26-12-11-22)20(23-24)18-9-5-16(2)6-10-18/h3-10,14H,12-13H2,1-2H3