6-(4-chloranylphenoxy)-6-methyl-5-oxidanyl-4-(1,2,4-triazol-1-yl)heptan-3-one

Systemtic Name: 6-(4-chloranylphenoxy)-6-methyl-5-oxidanyl-4-(1,2,4-triazol-1-yl)heptan-3-one Openeye Name: 6-(4-chlorophenoxy)-5-hydroxy-6-methyl-4-(1,2,4-triazol-1-yl)heptan-3-one CAS Name: 6-(4-chlorophenoxy)-5-hydroxy-6-methyl-4-(1,2,4-triazol-1-yl)-3-heptanone IUPAC Name: 6-(4-chlorophenoxy)-5-hydroxy-6-methyl-4-(1,2,4-triazol-1-yl)heptan-3-one Traditional Name: 6-(4-chlorophenoxy)-5-hydroxy-6-methyl-4-(1,2,4-triazol-1-yl)heptan-3-one Formula: C16H20ClN3O3 MolecularWeight: 337.8013

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O3/c1-4-13(21)14(20-10-18-9-19-20)15(22)16(2,3)23-12-7-5-11(17)6-8-12/h5-10,14-15,22H,4H2,1-3H3