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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-propylphenyl)-thiophen-2-yl-methyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-propylphenyl)-(2-thienyl)methyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-propylphenyl)-thiophen-2-ylmethyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-propylphenyl)-(2-thienyl)methyl]propionamide Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CCC3=C(N(N=C3C)CCC#N)C

InChI

InChI=1S/C25H30N4OS/c1-4-7-20-9-11-21(12-10-20)25(23-8-5-17-31-23)27-24(30)14-13-22-18(2)28-29(19(22)3)16-6-15-26/h5,8-12,17,25H,4,6-7,13-14,16H2,1-3H3,(H,27,30)