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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4/c1-4-7-8-13(5-2)18(23)22-17(20-19(21-22)24-6-3)14-9-10-15-16(11-14)26-12-25-15/h9-11,13H,4-8,12H2,1-3H3