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

Systemtic Name: 2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile Openeye Name: 2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile CAS Name: 2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile IUPAC Name: 2-(2-ethoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile Traditional Name: 2-o-phenetyl-2-(1,2,4-triazol-1-ylmethyl)enanthonitrile Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OCC

Isomeric SMILES

CCCCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OCC

InChI

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