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Summary Geometry Related PDB entries

X8C

Summary

Name:	1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]-N-piperidin-4-yl-pyrazole-3-carboxamide
Synonyms:	4-(2,6-dichlorobenzamido)-1-(2,6-dichlorobenzoyl)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide
Formula:	C23 H19 Cl4 N5 O3
Formal charge:	0
Formula weight:	555.241 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-[2,6-bis(chloranyl)phenyl]carbonyl-4-[[2,6-bis(chloranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-pyrazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H19Cl4N5O3/c24-13-3-1-4-14(25)18(13)21(33)30-17-11-32(23(35)19-15(26)5-2-6-16(19)27)31-20(17)22(34)29-12-7-9-28-10-8-12/h1-6,11-12,28H,7-10H2,(H,29,34)(H,30,33)
InChIKey	InChI	1.06	NFMDNCVFXJZSGE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1cccc(Cl)c1C(=O)Nc2cn(nc2C(=O)NC3CCNCC3)C(=O)c4c(Cl)cccc4Cl
SMILES	CACTVS	3.385	Clc1cccc(Cl)c1C(=O)Nc2cn(nc2C(=O)NC3CCNCC3)C(=O)c4c(Cl)cccc4Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)Cl)C(=O)Nc2cn(nc2C(=O)NC3CCNCC3)C(=O)c4c(cccc4Cl)Cl)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)Cl)C(=O)Nc2cn(nc2C(=O)NC3CCNCC3)C(=O)c4c(cccc4Cl)Cl)Cl

248335

PDB entries from 2026-01-28

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