2-(3-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(3-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(3-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(3-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(3-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(3-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O/c1-3-4-8-16(10-17,11-20-13-18-12-19-20)14-6-5-7-15(9-14)21-2/h5-7,9,12-13H,3-4,8,11H2,1-2H3