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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-isobutoxy-1,2,4-triazol-1-yl]heptan-1-one Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c1-4-5-6-7-8-18(24)23-19(21-20(22-23)25-12-14(2)3)15-9-10-16-17(11-15)27-13-26-16/h9-11,14H,4-8,12-13H2,1-3H3