(4-cyanophenyl) 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: (4-cyanophenyl) 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (4-cyanophenyl) 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid (4-cyanophenyl) ester Formula: C20H16ClN3O2 MolecularWeight: 365.81294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC3=CC=C(C=C3)C#N)Cl

InChI

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