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Summary Geometry Related PDB entries

L7Y

Summary

Name:	5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one
Formula:	C23 H22 Cl N3 O3
Formal charge:	0
Formula weight:	423.892 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one
OpenEye OEToolkits	2.0.7	5-(4-chlorophenyl)-3-[[(3-morpholin-4-ylcarbonylphenyl)amino]methyl]-1~{H}-pyridin-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(N4CCOCC4)=O
InChI	InChI	1.03	InChI=1S/C23H22ClN3O3/c24-20-6-4-16(5-7-20)18-12-19(22(28)26-14-18)15-25-21-3-1-2-17(13-21)23(29)27-8-10-30-11-9-27/h1-7,12-14,25H,8-11,15H2,(H,26,28)
InChIKey	InChI	1.03	FGOXIGQZSJLIHW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(=O)N4CCOCC4
SMILES	CACTVS	3.385	Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(=O)N4CCOCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)C(=O)N4CCOCC4

219140

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