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

Systemtic Name: 2-(2-pentoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(2-pentoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(2-pentoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(2-pentoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(2-amoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C20H28N4O MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(CCCC)(CN2C=NC=N2)C#N

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(CCCC)(CN2C=NC=N2)C#N

InChI

InChI=1S/C20H28N4O/c1-3-5-9-13-25-19-11-8-7-10-18(19)20(14-21,12-6-4-2)15-24-17-22-16-23-24/h7-8,10-11,16-17H,3-6,9,12-13,15H2,1-2H3