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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]heptan-1-one Formula: C19H25N3O5 MolecularWeight: 375.4189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O5/c1-3-4-5-6-7-17(23)22-18(20-19(21-22)25-11-10-24-2)14-8-9-15-16(12-14)27-13-26-15/h8-9,12H,3-7,10-11,13H2,1-2H3