K6C

4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide

Created:2023-08-10
Last modified:  2024-04-24

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Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count0
Bond Count64
Aromatic Bond Count23
2D diagram of K6C

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Chemical Component Summary

Name4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N,N-dimethylbenzamide
Systematic Name (OpenEye OEToolkits)4-[2-[4-[6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1,2,3-triazol-1-yl]ethyl]-~{N},~{N}-dimethyl-benzamide
FormulaC26 H27 N5 O3
Molecular Weight457.524
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)C(=O)c1ccc(cc1)CCn1cc(nn1)c1ccc(nc1)c1cc(OC)ccc1OC
SMILESCACTVS3.385COc1ccc(OC)c(c1)c2ccc(cn2)c3cn(CCc4ccc(cc4)C(=O)N(C)C)nn3
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)c1ccc(cc1)CCn2cc(nn2)c3ccc(nc3)c4cc(ccc4OC)OC
Canonical SMILESCACTVS3.385 COc1ccc(OC)c(c1)c2ccc(cn2)c3cn(CCc4ccc(cc4)C(=O)N(C)C)nn3
Canonical SMILESOpenEye OEToolkits2.0.7 CN(C)C(=O)c1ccc(cc1)CCn2cc(nn2)c3ccc(nc3)c4cc(ccc4OC)OC
InChIInChI1.06 InChI=1S/C26H27N5O3/c1-30(2)26(32)19-7-5-18(6-8-19)13-14-31-17-24(28-29-31)20-9-11-23(27-16-20)22-15-21(33-3)10-12-25(22)34-4/h5-12,15-17H,13-14H2,1-4H3
InChIKeyInChI1.06 IWENWSLJIVZDTH-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 171362239