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

Systemtic Name: cyanomethyl 3-(2-methoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: cyanomethyl 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(2-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(2-methoxyphenyl)pyrazole-4-carboxylic acid cyanomethyl ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C(=O)OCC#N)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2C(=O)OCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C20H17N3O3/c1-25-18-10-6-5-9-16(18)19-17(20(24)26-12-11-21)14-23(22-19)13-15-7-3-2-4-8-15/h2-10,14H,12-13H2,1H3