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

Systemtic Name: 1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-N-(4-ethanoylphenyl)pyrazole-4-carboxamide Openeye Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide CAS Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-4-pyrazolecarboxamide IUPAC Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide Traditional Name: N-(4-acetylphenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide Formula: C23H22N4O2 MolecularWeight: 386.44638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)C)CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)C(=O)C)CCC#N)C

InChI

InChI=1S/C23H22N4O2/c1-15-5-6-19(13-16(15)2)22-21(14-27(26-22)12-4-11-24)23(29)25-20-9-7-18(8-10-20)17(3)28/h5-10,13-14H,4,12H2,1-3H3,(H,25,29)