4YI

2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide

Created:	2021-07-07
Last modified:	2021-09-08

Find Related PDB Entry
2 entries where 4YI 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	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	18

2D diagram of 4YI

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
Systematic Name (OpenEye OEToolkits)	2-chloranyl-~{N}-[2-methoxy-4-[(~{E})-pyridin-2-yldiazenyl]phenyl]benzamide
Formula	C₁₉ H₁₅ Cl N₄ O₂
Molecular Weight	366.801
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3
Canonical SMILES	CACTVS	3.385	COc1cc(ccc1NC(=O)c2ccccc2Cl)N=Nc3ccccn3
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1NC(=O)c2ccccc2Cl)/N=N/c3ccccn3
InChI	InChI	1.03	InChI=1S/C19H15ClN4O2/c1-26-17-12-13(23-24-18-8-4-5-11-21-18)9-10-16(17)22-19(25)14-6-2-3-7-15(14)20/h2-12H,1H3,(H,22,25)/b24-23+
InChIKey	InChI	1.03	JJRNGNCTPCWXGM-WCWDXBQESA-N

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.