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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4-pentylphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4-pentylphenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(4-pentylphenyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(4-pentylphenyl)propanamide Traditional Name: N-(4-amylphenyl)-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]propionamide Formula: C22H30N4O MolecularWeight: 366.4998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C

InChI

InChI=1S/C22H30N4O/c1-4-5-6-8-19-9-11-20(12-10-19)24-22(27)14-13-21-17(2)25-26(18(21)3)16-7-15-23/h9-12H,4-8,13-14,16H2,1-3H3,(H,24,27)