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

Systemtic Name: 2-(3-phenoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(3-phenoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(3-phenoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(3-phenoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(3-phenoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O/c1-2-3-12-21(14-22,15-25-17-23-16-24-25)18-8-7-11-20(13-18)26-19-9-5-4-6-10-19/h4-11,13,16-17H,2-3,12,15H2,1H3