8-(2-fluoranylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)octan-3-one

Systemtic Name: 8-(2-fluoranylphenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)octan-3-one Openeye Name: 8-(2-fluorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)octan-3-one CAS Name: 8-(2-fluorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)-3-octanone IUPAC Name: 8-(2-fluorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)octan-3-one Traditional Name: 8-(2-fluorophenoxy)-2,2-dimethyl-4-(1,2,4-triazol-1-yl)octan-3-one Formula: C18H24FN3O2 MolecularWeight: 333.400463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(CCCCOC1=CC=CC=C1F)N2C=NC=N2

Isomeric SMILES

CC(C)(C)C(=O)C(CCCCOC1=CC=CC=C1F)N2C=NC=N2

InChI

InChI=1S/C18H24FN3O2/c1-18(2,3)17(23)15(22-13-20-12-21-22)9-6-7-11-24-16-10-5-4-8-14(16)19/h4-5,8,10,12-13,15H,6-7,9,11H2,1-3H3