2-(4-chloranylphenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)octan-3-one

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)octan-3-one Openeye Name: 2-(4-chlorophenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)octan-3-one CAS Name: 2-(4-chlorophenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)-3-octanone IUPAC Name: 2-(4-chlorophenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)octan-3-one Traditional Name: 2-(4-chlorophenoxy)-2-methyl-4-(1,2,4-triazol-1-yl)octan-3-one Formula: C17H22ClN3O2 MolecularWeight: 335.82848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)C(C)(C)OC1=CC=C(C=C1)Cl)N2C=NC=N2

Isomeric SMILES

CCCCC(C(=O)C(C)(C)OC1=CC=C(C=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C17H22ClN3O2/c1-4-5-6-15(21-12-19-11-20-21)16(22)17(2,3)23-14-9-7-13(18)8-10-14/h7-12,15H,4-6H2,1-3H3