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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)CCC2=C(N(N=C2C)CCC#N)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)CCC2=C(N(N=C2C)CCC#N)C

InChI

InChI=1S/C21H28N4O2/c1-16-7-4-8-19(15-16)27-14-6-12-23-21(26)10-9-20-17(2)24-25(18(20)3)13-5-11-22/h4,7-8,15H,5-6,9-10,12-14H2,1-3H3,(H,23,26)