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

Systemtic Name: 2,4,4-trimethyl-5-oxidanylidene-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile Openeye Name: 2,4,4-trimethyl-5-oxo-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile CAS Name: 2,4,4-trimethyl-5-oxo-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile IUPAC Name: 2,4,4-trimethyl-5-oxo-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile Traditional Name: 5-keto-2,4,4-trimethyl-2-[3-(1,2,4-triazol-1-ylmethyl)phenyl]hexanenitrile Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O/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/h5-8,12-13H,9-10H2,1-4H3