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Summary Geometry Related PDB entries

4HN

Summary

Name:	2-(2'-ETHOXYBIPHENYL-4-YL)-4-HYDROXY-1,6-NAPHTHYRIDINE-3-CARBONITRILE
Formula:	C23 H17 N3 O2
Formal charge:	0
Formula weight:	367.4 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-(2'-ethoxybiphenyl-4-yl)-4-hydroxy-1,6-naphthyridine-3-carbonitrile
OpenEye OEToolkits	1.9.2	2-[4-(2-ethoxyphenyl)phenyl]-4-oxidanyl-1,6-naphthyridine-3-carbonitrile

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc1c(O)c4c(nc1c3ccc(c2ccccc2OCC)cc3)ccnc4
InChI	InChI	1.03	InChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27)
InChIKey	InChI	1.03	IMYDUDGJIZQSHN-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOc1ccccc1c2ccc(cc2)c3nc4ccncc4c(O)c3C#N
SMILES	CACTVS	3.385	CCOc1ccccc1c2ccc(cc2)c3nc4ccncc4c(O)c3C#N
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N
SMILES	OpenEye OEToolkits	1.9.2	CCOc1ccccc1c2ccc(cc2)c3c(c(c4cnccc4n3)O)C#N

222926

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