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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]propionamide Formula: C23H33N5OS MolecularWeight: 427.60602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)CCC2=C(N(N=C2C)CCC#N)C)C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)CCC2=C(N(N=C2C)CCC#N)C)C3=CC=CS3

InChI

InChI=1S/C23H33N5OS/c1-17-9-13-27(14-10-17)21(22-6-4-15-30-22)16-25-23(29)8-7-20-18(2)26-28(19(20)3)12-5-11-24/h4,6,15,17,21H,5,7-10,12-14,16H2,1-3H3,(H,25,29)