2-(2-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(2-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(2-isopropoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(2-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(2-propan-2-yloxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(2-isopropoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C18H24N4O MolecularWeight: 312.40936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O/c1-4-5-10-18(11-19,12-22-14-20-13-21-22)16-8-6-7-9-17(16)23-15(2)3/h6-9,13-15H,4-5,10,12H2,1-3H3