2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)octanenitrile

Systemtic Name: 2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)octanenitrile Openeye Name: 2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)octanenitrile CAS Name: 2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)octanenitrile IUPAC Name: 2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)octanenitrile Traditional Name: 2-(2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)caprylonitrile Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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