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

Systemtic Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile Openeye Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile CAS Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile IUPAC Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile Traditional Name: 2-(2-propoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)enanthonitrile Formula: C19H26N4O MolecularWeight: 326.43594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O/c1-3-5-8-11-19(13-20,14-23-16-21-15-22-23)17-9-6-7-10-18(17)24-12-4-2/h6-7,9-10,15-16H,3-5,8,11-12,14H2,1-2H3