A1JG9

4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]oxy]benzamide

Created:	2025-06-17
Last modified:	2025-09-17

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1 entries where A1JG9 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	12

2D diagram of A1JG9

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Chemical Component Summary
Name	4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]oxy]benzamide
Systematic Name (OpenEye OEToolkits)	4-[[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-6-yl]oxy]benzamide
Formula	C₁₅ H₁₁ N₃ O₄
Molecular Weight	297.266
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccc(Oc2ccc3C(=O)NNC(=O)c3c2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)Oc2ccc3c(c2)C(=O)NNC3=O
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(Oc2ccc3C(=O)NNC(=O)c3c2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)Oc2ccc3c(c2)C(=O)NNC3=O
InChI	InChI	1.06	InChI=1S/C15H11N3O4/c16-13(19)8-1-3-9(4-2-8)22-10-5-6-11-12(7-10)15(21)18-17-14(11)20/h1-7H,(H2,16,19)(H,17,20)(H,18,21)
InChIKey	InChI	1.06	WMQQQNFHADZJGQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	176730628

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.