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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3,4-diethoxyphenyl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3,4-diethoxyphenyl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-(3,4-diethoxyphenyl)propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(3,4-diethoxyphenyl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3,4-diethoxyphenyl)propionamide Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CCC2=C(N(N=C2C)CCC#N)C)OCC

InChI

InChI=1S/C21H28N4O3/c1-5-27-19-10-8-17(14-20(19)28-6-2)23-21(26)11-9-18-15(3)24-25(16(18)4)13-7-12-22/h8,10,14H,5-7,9,11,13H2,1-4H3,(H,23,26)