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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(3-phenoxyphenyl)methyl]propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-[(3-phenoxyphenyl)methyl]propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[(3-phenoxyphenyl)methyl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(3-phenoxyphenyl)methyl]propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(3-phenoxybenzyl)propionamide Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H26N4O2/c1-18-23(19(2)28(27-18)15-7-14-25)12-13-24(29)26-17-20-8-6-11-22(16-20)30-21-9-4-3-5-10-21/h3-6,8-11,16H,7,12-13,15,17H2,1-2H3,(H,26,29)