2-(2-butoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(2-butoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(2-butoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(2-butoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(2-butoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(2-butoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C19H26N4O MolecularWeight: 326.43594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OCCCC

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OCCCC

InChI

InChI=1S/C19H26N4O/c1-3-5-11-19(13-20,14-23-16-21-15-22-23)17-9-7-8-10-18(17)24-12-6-4-2/h7-10,15-16H,3-6,11-12,14H2,1-2H3