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Summary Geometry Related PDB entries

NUO

Summary

Name:	2-chloranyl-~{N}-[[1-(1-phenylazanylcyclobutyl)carbonylpiperidin-4-yl]methyl]ethanamide
Formula:	C19 H26 Cl N3 O2
Formal charge:	0
Formula weight:	363.882 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C19H26ClN3O2/c20-13-17(24)21-14-15-7-11-23(12-8-15)18(25)19(9-4-10-19)22-16-5-2-1-3-6-16/h1-3,5-6,15,22H,4,7-14H2,(H,21,24)
InChIKey	InChI	1.06	FTHNPKJZIJMFGT-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3
SMILES	CACTVS	3.385	ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCC2)Nc3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CNC(=O)CCl
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NC2(CCC2)C(=O)N3CCC(CC3)CNC(=O)CCl

223532

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