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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC(C)CCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC(C)CCC2=CC=CC=C2

InChI

InChI=1S/C21H28N4O/c1-16(10-11-19-8-5-4-6-9-19)23-21(26)13-12-20-17(2)24-25(18(20)3)15-7-14-22/h4-6,8-9,16H,7,10-13,15H2,1-3H3,(H,23,26)