GRZ

1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide

Created:2018-10-08
Last modified:  2018-10-31

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Chemical Details

Formal Charge0
Atom Count34
Chiral Atom Count0
Bond Count36
Aromatic Bond Count17
2D diagram of GRZ

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Chemical Component Summary

Name1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
FormulaC15 H10 Cl F N4 O3
Molecular Weight348.716
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F
Canonical SMILESCACTVS3.385 ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)cc3
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F
InChIInChI1.03 InChI=1S/C15H10ClFN4O3/c16-9-1-6-14(24-11-4-2-10(17)3-5-11)13(7-9)21-8-12(18-20-21)15(22)19-23/h1-8,23H,(H,19,22)
InChIKeyInChI1.03 NXLUFTCWMNFMML-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 135567460
ChEMBL CHEMBL4176696