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

Systemtic Name: 1-[3-propan-2-yloxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Openeye Name: 1-[3-isopropoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one CAS Name: 1-[3-propan-2-yloxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-1-heptanone IUPAC Name: 1-[3-propan-2-yloxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Traditional Name: 1-[3-isopropoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]heptan-1-one Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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