M7I

5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione

Created:	2022-03-14
Last modified:	2022-06-08

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1 entries where M7I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	6

2D diagram of M7I

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Chemical Component Summary
Name	5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,4-dihydropyrazine-2,3-dione
Systematic Name (OpenEye OEToolkits)	5-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,4-dihydropyrazine-2,3-dione
Formula	C₁₃ H₁₁ F₃ N₂ O₂
Molecular Weight	284.234
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC(CCc2ccc(cc2)C(F)(F)F)=CNC1=O
SMILES	CACTVS	3.385	FC(F)(F)c1ccc(CCC2=CNC(=O)C(=O)N2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCC2=CNC(=O)C(=O)N2)C(F)(F)F
Canonical SMILES	CACTVS	3.385	FC(F)(F)c1ccc(CCC2=CNC(=O)C(=O)N2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1CCC2=CNC(=O)C(=O)N2)C(F)(F)F
InChI	InChI	1.03	InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-17-11(19)12(20)18-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)
InChIKey	InChI	1.03	YIASGIMSIFVHQL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	163359807

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