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

Systemtic Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile Openeye Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile CAS Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile IUPAC Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)heptanenitrile Traditional Name: 2-phenyl-2-(1,2,4-triazol-1-ylmethyl)enanthonitrile Formula: C16H20N4 MolecularWeight: 268.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4/c1-2-3-7-10-16(11-17,12-20-14-18-13-19-20)15-8-5-4-6-9-15/h4-6,8-9,13-14H,2-3,7,10,12H2,1H3