EZS

1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one

Created:	2018-02-19
Last modified:	2018-04-11

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1 entries where EZS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	11

2D diagram of EZS

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Chemical Component Summary
Name	1-{1-[(4-fluorophenyl)methyl]-2-methyl-1H-imidazol-4-yl}ethan-1-one
Systematic Name (OpenEye OEToolkits)	1-[1-[(4-fluorophenyl)methyl]-2-methyl-imidazol-4-yl]ethanone
Formula	C₁₃ H₁₃ F N₂ O
Molecular Weight	232.254
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(c1cn(c(n1)C)Cc2ccc(cc2)F)(C)=O
SMILES	CACTVS	3.385	CC(=O)c1cn(Cc2ccc(F)cc2)c(C)n1
SMILES	OpenEye OEToolkits	2.0.6	Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C
Canonical SMILES	CACTVS	3.385	CC(=O)c1cn(Cc2ccc(F)cc2)c(C)n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1nc(cn1Cc2ccc(cc2)F)C(=O)C
InChI	InChI	1.03	InChI=1S/C13H13FN2O/c1-9(17)13-8-16(10(2)15-13)7-11-3-5-12(14)6-4-11/h3-6,8H,7H2,1-2H3
InChIKey	InChI	1.03	DFAWHFIZXSIPFQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	3845250

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