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

Systemtic Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Openeye Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one CAS Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-1-hexanone IUPAC Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-ethylhexan-1-one Traditional Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-ethyl-hexan-1-one Formula: C21H31N3O5 MolecularWeight: 405.48794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5/c1-7-10-11-14(8-2)20(25)24-19(22-21(23-24)29-9-3)15-12-16(26-4)18(28-6)17(13-15)27-5/h12-14H,7-11H2,1-6H3