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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-4-7-8-15(5-2)20(25)24-19(22-21(23-24)27-12-11-26-6-3)16-9-10-17-18(13-16)29-14-28-17/h9-10,13,15H,4-8,11-12,14H2,1-3H3