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Summary Geometry Related PDB entries

VZR

Summary

Name:	4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one
Formula:	C26 H21 N3 O5
Formal charge:	0
Formula weight:	455.462 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H21N3O5/c1-17-11-26(31)34-25-13-21(8-9-22(17)25)32-16-19-15-29(28-27-19)14-18-7-10-24(23(30)12-18)33-20-5-3-2-4-6-20/h2-13,15,30H,14,16H2,1H3
InChIKey	InChI	1.06	ZRIHXCXHNUJXDW-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12
SMILES	CACTVS	3.385	CC1=CC(=O)Oc2cc(OCc3cn(Cc4ccc(Oc5ccccc5)c(O)c4)nn3)ccc12
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=CC(=O)Oc2c1ccc(c2)OCc3cn(nn3)Cc4ccc(c(c4)O)Oc5ccccc5
SMILES	OpenEye OEToolkits	2.0.7	CC1=CC(=O)Oc2c1ccc(c2)OCc3cn(nn3)Cc4ccc(c(c4)O)Oc5ccccc5

222415

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