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Summary Geometry Related PDB entries

ONY

Summary

Name:	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
Formula:	C22 H22 N4 O3
Formal charge:	0
Formula weight:	390.435 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
OpenEye OEToolkits	2.0.7	2-[4-(4-cyano-3-methyl-phenoxy)phenyl]-~{N}-methyl-~{N}-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CN(CCc1noc(n1)C)C(=O)Cc2ccc(cc2)Oc3cc(c(cc3)C#N)C
InChI	InChI	1.03	InChI=1S/C22H22N4O3/c1-15-12-20(9-6-18(15)14-23)28-19-7-4-17(5-8-19)13-22(27)26(3)11-10-21-24-16(2)29-25-21/h4-9,12H,10-11,13H2,1-3H3
InChIKey	InChI	1.03	IRHPSNSMVQKDNH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(CCc1noc(C)n1)C(=O)Cc2ccc(Oc3ccc(C#N)c(C)c3)cc2
SMILES	CACTVS	3.385	CN(CCc1noc(C)n1)C(=O)Cc2ccc(Oc3ccc(C#N)c(C)c3)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(ccc1C#N)Oc2ccc(cc2)CC(=O)N(C)CCc3nc(on3)C

227344

PDB entries from 2024-11-13

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