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

Systemtic Name: 2-(4-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(4-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(4-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(4-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-p-phenetyl-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O/c1-3-5-10-17(11-18,12-21-14-19-13-20-21)15-6-8-16(9-7-15)22-4-2/h6-9,13-14H,3-5,10,12H2,1-2H3