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

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-N-(4-ethanoylphenyl)pyrazole-4-carboxamide Openeye Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-15(28)16-5-8-18(9-6-16)25-23(29)19-14-27(12-4-11-24)26-22(19)17-7-10-20(30-2)21(13-17)31-3/h5-10,13-14H,4,12H2,1-3H3,(H,25,29)