A1CEG

N-[3-(benzyloxy)pyridin-2-yl]-N'-(4-cyano-2-hydroxyphenyl)urea

Created:	2025-05-28
Last modified:	2025-11-19

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3 entries where A1CEG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	18

2D diagram of A1CEG

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Chemical Component Summary
Name	N-[3-(benzyloxy)pyridin-2-yl]-N'-(4-cyano-2-hydroxyphenyl)urea
Systematic Name (OpenEye OEToolkits)	1-(4-cyano-2-oxidanyl-phenyl)-3-(3-phenylmethoxypyridin-2-yl)urea
Formula	C₂₀ H₁₆ N₄ O₃
Molecular Weight	360.366
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Nc1ncccc1OCc1ccccc1)Nc1ccc(C#N)cc1O
SMILES	CACTVS	3.385	Oc1cc(ccc1NC(=O)Nc2ncccc2OCc3ccccc3)C#N
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)COc2cccnc2NC(=O)Nc3ccc(cc3O)C#N
Canonical SMILES	CACTVS	3.385	Oc1cc(ccc1NC(=O)Nc2ncccc2OCc3ccccc3)C#N
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc(cc1)COc2cccnc2NC(=O)Nc3ccc(cc3O)C#N
InChI	InChI	1.06	InChI=1S/C20H16N4O3/c21-12-15-8-9-16(17(25)11-15)23-20(26)24-19-18(7-4-10-22-19)27-13-14-5-2-1-3-6-14/h1-11,25H,13H2,(H2,22,23,24,26)
InChIKey	InChI	1.06	NFPDKHFRABMOJP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	177693157

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