2-(4-chlorophenyl)-5-methyl-2-oxidanyl-1-(1,2,4-triazol-1-yl)hexan-3-one

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-2-oxidanyl-1-(1,2,4-triazol-1-yl)hexan-3-one Openeye Name: 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1,2,4-triazol-1-yl)hexan-3-one CAS Name: 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1,2,4-triazol-1-yl)-3-hexanone IUPAC Name: 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1,2,4-triazol-1-yl)hexan-3-one Traditional Name: 2-(4-chlorophenyl)-2-hydroxy-5-methyl-1-(1,2,4-triazol-1-yl)hexan-3-one Formula: C15H18ClN3O2 MolecularWeight: 307.77532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O

Isomeric SMILES

CC(C)CC(=O)C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O

InChI

InChI=1S/C15H18ClN3O2/c1-11(2)7-14(20)15(21,8-19-10-17-9-18-19)12-3-5-13(16)6-4-12/h3-6,9-11,21H,7-8H2,1-2H3