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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1-phenylbutyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1-phenylbutyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(1-phenylbutyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(1-phenylbutyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(1-phenylbutyl)propionamide Formula: C21H28N4O MolecularWeight: 352.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-4-9-20(18-10-6-5-7-11-18)23-21(26)13-12-19-16(2)24-25(17(19)3)15-8-14-22/h5-7,10-11,20H,4,8-9,12-13,15H2,1-3H3,(H,23,26)