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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(4-isopropoxyphenyl)methyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(4-propan-2-yloxyphenyl)methyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(4-isopropoxybenzyl)propionamide Formula: C21H28N4O2 MolecularWeight: 368.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C21H28N4O2/c1-15(2)27-19-8-6-18(7-9-19)14-23-21(26)11-10-20-16(3)24-25(17(20)4)13-5-12-22/h6-9,15H,5,10-11,13-14H2,1-4H3,(H,23,26)