(phenylmethyl) 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: benzyl 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-(4-methoxyphenyl)pyrazole-4-carboxylic acid benzyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC=CC=C3)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC=CC=C3)CCC#N

InChI

InChI=1S/C21H19N3O3/c1-26-18-10-8-17(9-11-18)20-19(14-24(23-20)13-5-12-22)21(25)27-15-16-6-3-2-4-7-16/h2-4,6-11,14H,5,13,15H2,1H3