2-(5-chloranyl-2-methoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile CAS Name: 2-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile Formula: C16H19ClN4O MolecularWeight: 318.80126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1C=NC=N1)(C#N)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCCCC(CN1C=NC=N1)(C#N)C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C16H19ClN4O/c1-3-4-7-16(9-18,10-21-12-19-11-20-21)14-8-13(17)5-6-15(14)22-2/h5-6,8,11-12H,3-4,7,10H2,1-2H3