2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile

Systemtic Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Openeye Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile CAS Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile IUPAC Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)pentanenitrile Traditional Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)valeronitrile Formula: C17H22N4O MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OCCC

Isomeric SMILES

CCCC(CN1C=NC=N1)(C#N)C2=CC=CC=C2OCCC

InChI

InChI=1S/C17H22N4O/c1-3-9-17(11-18,12-21-14-19-13-20-21)15-7-5-6-8-16(15)22-10-4-2/h5-8,13-14H,3-4,9-10,12H2,1-2H3