UM5

N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide

Created:	2021-03-02
Last modified:	2021-03-24

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1 entries where UM5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	17

2D diagram of UM5

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Chemical Component Summary
Name	N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
Synonyms	~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
Formula	C₁₈ H₁₉ N₅ O₂
Molecular Weight	337.376
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3
SMILES	OpenEye OEToolkits	2.0.7	CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3
Canonical SMILES	CACTVS	3.385	CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3ccccn3
InChI	InChI	1.03	InChI=1S/C18H19N5O2/c1-3-19-18(24)13-7-8-17(25-12-14-6-4-5-9-20-14)15(10-13)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,19,24)
InChIKey	InChI	1.03	PXCVJESJJFPBNT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155818570

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