JV8

~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide

Created:2019-04-02
Last modified:  2019-05-08

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count40
Aromatic Bond Count17
2D diagram of JV8

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Chemical Component Summary

Name~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide
Systematic Name (OpenEye OEToolkits)~{N}-isoquinolin-6-yl-2-(2-methylphenoxy)ethanamide
FormulaC18 H16 N2 O2
Molecular Weight292.332
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
SMILESOpenEye OEToolkits2.0.7Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
Canonical SMILESCACTVS3.385 Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
InChIInChI1.03 InChI=1S/C18H16N2O2/c1-13-4-2-3-5-17(13)22-12-18(21)20-16-7-6-15-11-19-9-8-14(15)10-16/h2-11H,12H2,1H3,(H,20,21)
InChIKeyInChI1.03 PEVCERQGPZRIFE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138115404