(4-cyanophenyl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (4-cyanobenzyl) ester Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC=C(C=C3)C#N

InChI

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