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Summary Geometry Related PDB entries

K7X

Summary

Name:	2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide
Formula:	C19 H17 Br F3 N3 O2
Formal charge:	0
Formula weight:	456.256 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H17BrF3N3O2/c1-4-26(13-7-5-6-11(2)8-13)15(27)10-28-18-14(9-24)16(19(21,22)23)17(20)12(3)25-18/h5-8H,4,10H2,1-3H3
InChIKey	InChI	1.06	OFTSRQPYUSQTEG-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCN(C(=O)COc1nc(C)c(Br)c(c1C#N)C(F)(F)F)c2cccc(C)c2
SMILES	CACTVS	3.385	CCN(C(=O)COc1nc(C)c(Br)c(c1C#N)C(F)(F)F)c2cccc(C)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCN(c1cccc(c1)C)C(=O)COc2c(c(c(c(n2)C)Br)C(F)(F)F)C#N
SMILES	OpenEye OEToolkits	2.0.7	CCN(c1cccc(c1)C)C(=O)COc2c(c(c(c(n2)C)Br)C(F)(F)F)C#N

222415

數據於2024-07-10公開中

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