2-(2-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(2-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(2-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(2-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(2-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(2-methoxyphenyl)-5-methyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C17H22N4O MolecularWeight: 298.38278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OC

Isomeric SMILES

CC(C)CCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OC

InChI

InChI=1S/C17H22N4O/c1-14(2)8-9-17(10-18,11-21-13-19-12-20-21)15-6-4-5-7-16(15)22-3/h4-7,12-14H,8-9,11H2,1-3H3