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

Systemtic Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Openeye Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide CAS Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)-4-pyrazolecarboxamide IUPAC Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Traditional Name: N-(2-chlorophenyl)-1-(2-cyanoethyl)-3-(3,4-dimethoxyphenyl)pyrazole-4-carboxamide Formula: C21H19ClN4O3 MolecularWeight: 410.85356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Cl)CCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NC3=CC=CC=C3Cl)CCC#N)OC

InChI

InChI=1S/C21H19ClN4O3/c1-28-18-9-8-14(12-19(18)29-2)20-15(13-26(25-20)11-5-10-23)21(27)24-17-7-4-3-6-16(17)22/h3-4,6-9,12-13H,5,11H2,1-2H3,(H,24,27)