6XZ

4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one

Created:	2016-07-22
Last modified:	2017-07-26

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2 entries where 6XZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	12

2D diagram of 6XZ

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Chemical Component Summary
Name	4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one
Systematic Name (OpenEye OEToolkits)	4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-7,8-bis(oxidanyl)chromen-2-one
Formula	C₂₁ H₂₂ N₂ O₅
Molecular Weight	382.41
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c(O)c(O)ccc34
SMILES	OpenEye OEToolkits	2.0.5	COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O
Canonical SMILES	CACTVS	3.385	COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c(O)c(O)ccc34
Canonical SMILES	OpenEye OEToolkits	2.0.5	COc1ccc(cc1)N2CCN(CC2)CC3=CC(=O)Oc4c3ccc(c4O)O
InChI	InChI	1.03	InChI=1S/C21H22N2O5/c1-27-16-4-2-15(3-5-16)23-10-8-22(9-11-23)13-14-12-19(25)28-21-17(14)6-7-18(24)20(21)26/h2-7,12,24,26H,8-11,13H2,1H3
InChIKey	InChI	1.03	NSCKGTDRMZINFP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	5574989

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