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

Systemtic Name: 1-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[3-isobutoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 1-[5-(4-methylphenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[3-isobutoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]hexan-1-one Formula: C19H27N3O2 MolecularWeight: 329.43658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2/c1-5-6-7-8-17(23)22-18(16-11-9-15(4)10-12-16)20-19(21-22)24-13-14(2)3/h9-12,14H,5-8,13H2,1-4H3