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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[cyclopropyl(phenyl)methyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[cyclopropyl(phenyl)methyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[cyclopropyl(phenyl)methyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[cyclopropyl(phenyl)methyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[cyclopropyl(phenyl)methyl]propionamide Formula: C21H26N4O MolecularWeight: 350.45734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC(C2CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC(C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O/c1-15-19(16(2)25(24-15)14-6-13-22)11-12-20(26)23-21(18-9-10-18)17-7-4-3-5-8-17/h3-5,7-8,18,21H,6,9-12,14H2,1-2H3,(H,23,26)