cyanomethyl 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: cyanomethyl 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: cyanomethyl 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(3-methoxyphenyl)-1-(4-methylphenyl)-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 3-(3-methoxyphenyl)-1-(p-tolyl)pyrazole-4-carboxylic acid cyanomethyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OCC#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)OC)C(=O)OCC#N

InChI

InChI=1S/C20H17N3O3/c1-14-6-8-16(9-7-14)23-13-18(20(24)26-11-10-21)19(22-23)15-4-3-5-17(12-15)25-2/h3-9,12-13H,11H2,1-2H3