1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-phenyl-pyrazole-4-carboxamide

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-phenyl-pyrazole-4-carboxamide Openeye Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-phenyl-pyrazole-4-carboxamide CAS Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-phenyl-4-pyrazolecarboxamide IUPAC Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-phenylpyrazole-4-carboxamide Traditional Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-phenyl-pyrazole-4-carboxamide Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3)CCC#N)OC

InChI

InChI=1S/C21H20N4O3/c1-27-18-10-9-15(13-19(18)28-2)20-17(14-25(24-20)12-6-11-22)21(26)23-16-7-4-3-5-8-16/h3-5,7-10,13-14H,6,12H2,1-2H3,(H,23,26)