7Y6

4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide

Created:	2013-10-10
Last modified:	2016-02-03

Find Related PDB Entry
1 entries where 7Y6 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	54
Aromatic Bond Count	12

2D diagram of 7Y6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Systematic Name (OpenEye OEToolkits)	4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Formula	C₂₁ H₂₄ Cl N₃ O₃
Molecular Weight	401.887
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc3cc(OC1CCNCC1)c(C(=O)NC(=[N@H])Cc2cccc(OC)c2)cc3
SMILES	CACTVS	3.385	COc1cccc(CC(=N)NC(=O)c2ccc(Cl)cc2OC3CCNCC3)c1
SMILES	OpenEye OEToolkits	1.9.2	COc1cccc(c1)CC(=N)NC(=O)c2ccc(cc2OC3CCNCC3)Cl
Canonical SMILES	CACTVS	3.385	COc1cccc(CC(=N)NC(=O)c2ccc(Cl)cc2OC3CCNCC3)c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccc(cc2OC3CCNCC3)Cl
InChI	InChI	1.03	InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-6-5-15(22)13-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26)
InChIKey	InChI	1.03	LWKDHLRBDHZTMF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	139033397, 117072425

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.