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Summary Geometry Related PDB entries

N0L

Summary

Name:	2-chloranyl-N-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide
Formula:	C22 H31 Cl2 N3 O3
Formal charge:	0
Formula weight:	456.406 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-chloranyl-~{N}-[3-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]propyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H31Cl2N3O3/c23-16-20(28)25-11-1-2-17-7-12-27(13-8-17)21(29)22(9-14-30-15-10-22)26-19-5-3-18(24)4-6-19/h3-6,17,26H,1-2,7-16H2,(H,25,28)
InChIKey	InChI	1.06	YDOPFLYDYZIKJH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	ClCC(=O)NCCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
SMILES	CACTVS	3.385	ClCC(=O)NCCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3ccc(Cl)cc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCCNC(=O)CCl)Cl
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC(CC3)CCCNC(=O)CCl)Cl

222415

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