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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]-1-hexanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazol-1-yl]hexan-1-one Formula: C18H23N3O5 MolecularWeight: 361.39232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-3-4-5-6-16(22)21-17(19-18(20-21)24-10-9-23-2)13-7-8-14-15(11-13)26-12-25-14/h7-8,11H,3-6,9-10,12H2,1-2H3