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

Systemtic Name: (phenylmethyl) 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: benzyl 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylate CAS Name: 1-(2-cyanoethyl)-3-phenyl-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-cyanoethyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 1-(2-cyanoethyl)-3-phenyl-pyrazole-4-carboxylic acid benzyl ester Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=CC=C3)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CN(N=C2C3=CC=CC=C3)CCC#N

InChI

InChI=1S/C20H17N3O2/c21-12-7-13-23-14-18(19(22-23)17-10-5-2-6-11-17)20(24)25-15-16-8-3-1-4-9-16/h1-6,8-11,14H,7,13,15H2