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

Systemtic Name: cyanomethyl 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: cyanomethyl 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid cyanomethyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4/c1-25-17-9-8-14(12-18(17)26-2)19-16(20(24)27-11-10-21)13-23(22-19)15-6-4-3-5-7-15/h3-9,12-13H,11H2,1-2H3