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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]hexan-1-one Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCC(=O)N1C(=NC(=N1)OCC(C)C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H25N3O4/c1-4-5-6-7-17(23)22-18(20-19(21-22)24-11-13(2)3)14-8-9-15-16(10-14)26-12-25-15/h8-10,13H,4-7,11-12H2,1-3H3