JV8

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

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

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1 entries where JV8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	17

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
Formula	C₁₈ H₁₆ N₂ O₂
Molecular Weight	292.332
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
Canonical SMILES	CACTVS	3.385	Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccccc1OCC(=O)Nc2ccc3cnccc3c2
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	PEVCERQGPZRIFE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138115404

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