2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanamide

Systemtic Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanamide Openeye Name: 2-[3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanamide CAS Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanamide IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanamide Traditional Name: 2-[3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionamide Formula: C17H21N5O MolecularWeight: 311.38154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C(=O)N

Isomeric SMILES

CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C(=O)N

InChI

InChI=1S/C17H21N5O/c1-16(2,9-18)13-5-12(8-22-11-20-10-21-22)6-14(7-13)17(3,4)15(19)23/h5-7,10-11H,8H2,1-4H3,(H2,19,23)