N09

N-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide

Created:2014-06-04
Last modified:  2014-08-06

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count44
Aromatic Bond Count17
2D diagram of N09

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Chemical Component Summary

NameN-(4-chloro-3-methoxyphenyl)-2-(4-oxochromeno[4,3-c]pyrazol-1(4H)-yl)acetamide
Systematic Name (OpenEye OEToolkits)N-(4-chloranyl-3-methoxy-phenyl)-2-(4-oxidanylidenechromeno[4,3-c]pyrazol-1-yl)ethanamide
FormulaC19 H14 Cl N3 O4
Molecular Weight383.785
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1ccc(cc1OC)NC(=O)Cn4ncc2c4c3c(OC2=O)cccc3
SMILESCACTVS3.385COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)ccc1Cl
SMILESOpenEye OEToolkits1.7.6COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4
Canonical SMILESCACTVS3.385 COc1cc(NC(=O)Cn2ncc3C(=O)Oc4ccccc4c23)ccc1Cl
Canonical SMILESOpenEye OEToolkits1.7.6 COc1cc(ccc1Cl)NC(=O)Cn2c-3c(cn2)C(=O)Oc4c3cccc4
InChIInChI1.03 InChI=1S/C19H14ClN3O4/c1-26-16-8-11(6-7-14(16)20)22-17(24)10-23-18-12-4-2-3-5-15(12)27-19(25)13(18)9-21-23/h2-9H,10H2,1H3,(H,22,24)
InChIKeyInChI1.03 DJHSRZJOSYWGCG-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 73332002
ChEMBL CHEMBL3360632