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Summary Geometry Related PDB entries

NQL

Summary

Name:	2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C20 H29 Cl N4 O2
Formal charge:	0
Formula weight:	392.923 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-chloranyl-~{N}-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C20H29ClN4O2/c21-14-18(26)23-15-16-6-12-25(13-7-16)19(27)20(8-10-22-11-9-20)24-17-4-2-1-3-5-17/h1-5,16,22,24H,6-15H2,(H,23,26)
InChIKey	InChI	1.06	XANXFUXIXRLBSI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3
SMILES	CACTVS	3.385	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(=O)CCl

223532

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