2,4-dimethyl-4-oxidanyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile

Systemtic Name: 2,4-dimethyl-4-oxidanyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile Openeye Name: 4-hydroxy-2,4-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile CAS Name: 4-hydroxy-2,4-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile IUPAC Name: 4-hydroxy-2,4-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanenitrile Traditional Name: 4-hydroxy-2,4-dimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]valeronitrile Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(C#N)C1=CC=CC(=C1)CN2C=NC=N2)O

Isomeric SMILES

CC(C)(CC(C)(C#N)C1=CC=CC(=C1)CN2C=NC=N2)O

InChI

InChI=1S/C16H20N4O/c1-15(2,21)9-16(3,10-17)14-6-4-5-13(7-14)8-20-12-18-11-19-20/h4-7,11-12,21H,8-9H2,1-3H3