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Summary Geometry Related PDB entries

A1I6J

Summary

Name:	~{N}-[(4~{R})-4-cyclohexyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,5,6,7-tetrakis(fluoranyl)-1~{H}-indole-3-carboxamide
Formula:	C18 H16 F4 N4 O3
Formal charge:	0
Formula weight:	412.338 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[(4~{R})-4-cyclohexyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,5,6,7-tetrakis(fluoranyl)-1~{H}-indole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H16F4N4O3/c19-10-9-8(6-23-15(9)13(22)12(21)11(10)20)16(27)25-26-17(28)14(24-18(26)29)7-4-2-1-3-5-7/h6-7,14,23H,1-5H2,(H,24,29)(H,25,27)/t14-/m1/s1
InChIKey	InChI	1.06	PPXDFGIAKBMPEQ-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	Fc1c(F)c(F)c2c([nH]cc2C(=O)NN3C(=O)N[C@H](C4CCCCC4)C3=O)c1F
SMILES	CACTVS	3.385	Fc1c(F)c(F)c2c([nH]cc2C(=O)NN3C(=O)N[CH](C4CCCCC4)C3=O)c1F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1c(c2c([nH]1)c(c(c(c2F)F)F)F)C(=O)NN3C(=O)[C@H](NC3=O)C4CCCCC4
SMILES	OpenEye OEToolkits	2.0.7	c1c(c2c([nH]1)c(c(c(c2F)F)F)F)C(=O)NN3C(=O)C(NC3=O)C4CCCCC4

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