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

Systemtic Name: 2-(2-chlorophenyl)-2-oxidanyl-1-(1,2,4-triazol-1-yl)hexan-3-one Openeye Name: 2-(2-chlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)hexan-3-one CAS Name: 2-(2-chlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)-3-hexanone IUPAC Name: 2-(2-chlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)hexan-3-one Traditional Name: 2-(2-chlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)hexan-3-one Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CN1C=NC=N1)(C2=CC=CC=C2Cl)O

Isomeric SMILES

CCCC(=O)C(CN1C=NC=N1)(C2=CC=CC=C2Cl)O

InChI

InChI=1S/C14H16ClN3O2/c1-2-5-13(19)14(20,8-18-10-16-9-17-18)11-6-3-4-7-12(11)15/h3-4,6-7,9-10,20H,2,5,8H2,1H3