1-(4-chlorophenyl)-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)heptan-1-one

Systemtic Name: 1-(4-chlorophenyl)-2-oxidanyl-2-(1,2,4-triazol-1-ylmethyl)heptan-1-one Openeye Name: 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)heptan-1-one CAS Name: 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)-1-heptanone IUPAC Name: 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)heptan-1-one Traditional Name: 1-(4-chlorophenyl)-2-hydroxy-2-(1,2,4-triazol-1-ylmethyl)heptan-1-one Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O2/c1-2-3-4-9-16(22,10-20-12-18-11-19-20)15(21)13-5-7-14(17)8-6-13/h5-8,11-12,22H,2-4,9-10H2,1H3