89Z

6-(cyclopentylmethoxy)phthalazine-1,4-dione

Created:	2021-10-07
Last modified:	2022-08-22

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1 entries where 89Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	6

2D diagram of 89Z

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Chemical Component Summary
Name	6-(cyclopentylmethoxy)phthalazine-1,4-dione
Systematic Name (OpenEye OEToolkits)	6-(cyclopentylmethoxy)phthalazine-1,4-dione
Formula	C₁₄ H₁₄ N₂ O₃
Molecular Weight	258.273
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C1N=NC(=O)c2cc(OCC3CCCC3)ccc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1OCC3CCCC3)C(=O)N=NC2=O
Canonical SMILES	CACTVS	3.385	O=C1N=NC(=O)c2cc(OCC3CCCC3)ccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cc1OCC3CCCC3)C(=O)N=NC2=O
InChI	InChI	1.06	InChI=1S/C14H14N2O3/c17-13-11-6-5-10(7-12(11)14(18)16-15-13)19-8-9-3-1-2-4-9/h5-7,9H,1-4,8H2
InChIKey	InChI	1.06	NLZNAPGLASOXSV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	163203936

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