2,4,4-trimethyl-5-oxidanyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile

Systemtic Name: 2,4,4-trimethyl-5-oxidanyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile Openeye Name: 5-hydroxy-2,4,4-trimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile CAS Name: 5-hydroxy-2,4,4-trimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile IUPAC Name: 5-hydroxy-2,4,4-trimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile Traditional Name: 5-hydroxy-2,4,4-trimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile Formula: C18H24N4O MolecularWeight: 312.40936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O/c1-14(23)17(2,3)10-18(4,11-19)16-7-5-6-15(8-16)9-22-13-20-12-21-22/h5-8,12-14,23H,9-10H2,1-4H3