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

Systemtic Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide Openeye Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide CAS Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide Traditional Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethylphenyl)pyrazole-4-carboxamide Formula: C21H19ClN4O MolecularWeight: 378.85476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Cl)CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Cl)CCC#N)C

InChI

InChI=1S/C21H19ClN4O/c1-14-8-9-16(12-15(14)2)20-17(13-26(25-20)11-5-10-23)21(27)24-19-7-4-3-6-18(19)22/h3-4,6-9,12-13H,5,11H2,1-2H3,(H,24,27)