1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one

Systemtic Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one Openeye Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one CAS Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-1-decanone IUPAC Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one Traditional Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]decan-1-one Formula: C25H39N3O5 MolecularWeight: 461.59426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCCCCCCC(=O)N1C(=NC(=N1)OCCCC)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C25H39N3O5/c1-6-8-10-11-12-13-14-15-22(29)28-24(26-25(27-28)33-16-9-7-2)19-17-20(30-3)23(32-5)21(18-19)31-4/h17-18H,6-16H2,1-5H3