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Summary Geometry Related PDB entries

N17

Summary

Name:	3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide
Formula:	C22 H18 N4 O2
Formal charge:	0
Formula weight:	370.404 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	3-(4-methyl-1H-imidazol-1-yl)-N-[4-(pyridin-4-yloxy)phenyl]benzamide
OpenEye OEToolkits	1.7.6	3-(4-methylimidazol-1-yl)-N-(4-pyridin-4-yloxyphenyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc2ccc(Oc1ccncc1)cc2)c3cccc(c3)n4cc(nc4)C
InChI	InChI	1.03	InChI=1S/C22H18N4O2/c1-16-14-26(15-24-16)19-4-2-3-17(13-19)22(27)25-18-5-7-20(8-6-18)28-21-9-11-23-12-10-21/h2-15H,1H3,(H,25,27)
InChIKey	InChI	1.03	TXKSFDQJSFSHRB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(Oc4ccncc4)cc3
SMILES	CACTVS	3.385	Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(Oc4ccncc4)cc3
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4
SMILES	OpenEye OEToolkits	1.7.6	Cc1cn(cn1)c2cccc(c2)C(=O)Nc3ccc(cc3)Oc4ccncc4

222926

數據於2024-07-24公開中

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