cyanomethyl 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: cyanomethyl 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: cyanomethyl 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-benzyl-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxylic acid cyanomethyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC#N)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)OCC#N)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H19N3O4/c1-26-18-9-8-16(12-19(18)27-2)20-17(21(25)28-11-10-22)14-24(23-20)13-15-6-4-3-5-7-15/h3-9,12,14H,11,13H2,1-2H3