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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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