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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CCC1=C(N(N=C1C)CCC#N)C)C2=CC=CC=C2

Isomeric SMILES

CCC(CNC(=O)CCC1=C(N(N=C1C)CCC#N)C)C2=CC=CC=C2

InChI

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