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

Systemtic Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-ethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5/c1-6-8-9-10-11-17(24)23-19(21-20(22-23)28-7-2)14-12-15(25-3)18(27-5)16(13-14)26-4/h12-13H,6-11H2,1-5H3