LJE

N-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide

Created:2010-08-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count0
Bond Count53
Aromatic Bond Count25
2D diagram of LJE

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Chemical Component Summary

NameN-{3-methyl-4-[(3-pyrimidin-4-ylpyridin-2-yl)oxy]phenyl}-3-(trifluoromethyl)benzamide
Systematic Name (OpenEye OEToolkits)N-[3-methyl-4-(3-pyrimidin-4-ylpyridin-2-yl)oxy-phenyl]-3-(trifluoromethyl)benzamide
FormulaC24 H17 F3 N4 O2
Molecular Weight450.413
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cccc(c1)C(=O)Nc4ccc(Oc2ncccc2c3ncncc3)c(c4)C
SMILESCACTVS3.370Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1Oc3ncccc3c4ccncn4
SMILESOpenEye OEToolkits1.7.0Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F
Canonical SMILESCACTVS3.370 Cc1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1Oc3ncccc3c4ccncn4
Canonical SMILESOpenEye OEToolkits1.7.0 Cc1cc(ccc1Oc2c(cccn2)c3ccncn3)NC(=O)c4cccc(c4)C(F)(F)F
InChIInChI1.03 InChI=1S/C24H17F3N4O2/c1-15-12-18(31-22(32)16-4-2-5-17(13-16)24(25,26)27)7-8-21(15)33-23-19(6-3-10-29-23)20-9-11-28-14-30-20/h2-14H,1H3,(H,31,32)
InChIKeyInChI1.03 OHDDQNLJTAKXQT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 46846309