3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[phenyl(thiophen-2-yl)methyl]propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[phenyl(thiophen-2-yl)methyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[phenyl(2-thienyl)methyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[phenyl(thiophen-2-yl)methyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[phenyl(thiophen-2-yl)methyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[phenyl(2-thienyl)methyl]propionamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C22H24N4OS/c1-16-19(17(2)26(25-16)14-7-13-23)11-12-21(27)24-22(20-10-6-15-28-20)18-8-4-3-5-9-18/h3-6,8-10,15,22H,7,11-12,14H2,1-2H3,(H,24,27)