1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one

Systemtic Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 1-[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[5-(3-chlorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]hexan-1-one Formula: C18H24ClN3O2 MolecularWeight: 349.85506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H24ClN3O2/c1-4-5-6-10-16(23)22-17(14-8-7-9-15(19)11-14)20-18(21-22)24-12-13(2)3/h7-9,11,13H,4-6,10,12H2,1-3H3