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

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-phenethyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-phenethyl-propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-phenethyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-phenethylpropanamide Traditional Name: N-benzyl-3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-phenethyl-propionamide Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O/c1-21-25(22(2)30(28-21)18-9-17-27)14-15-26(31)29(20-24-12-7-4-8-13-24)19-16-23-10-5-3-6-11-23/h3-8,10-13H,9,14-16,18-20H2,1-2H3