3YY

(5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione

Created:	2010-12-14
Last modified:	2011-06-04

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1 entries where 3YY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	1
Bond Count	41
Aromatic Bond Count	19

2D diagram of 3YY

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Chemical Component Summary
Name	(5R)-5-[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]imidazolidine-2,4-dione
Systematic Name (OpenEye OEToolkits)	(5R)-5-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]imidazolidine-2,4-dione
Formula	C₁₈ H₁₃ F N₄ O₂
Molecular Weight	336.32
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C4NC(=O)NC4c1cn(nc1c2ccc(F)cc2)c3ccccc3
SMILES	CACTVS	3.370	Fc1ccc(cc1)c2nn(cc2[CH]3NC(=O)NC3=O)c4ccccc4
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)C4C(=O)NC(=O)N4
Canonical SMILES	CACTVS	3.370	Fc1ccc(cc1)c2nn(cc2[C@H]3NC(=O)NC3=O)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)[C@@H]4C(=O)NC(=O)N4
InChI	InChI	1.03	InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)/t16-/m1/s1
InChIKey	InChI	1.03	MPQWYPLPWGUMJE-MRXNPFEDSA-N

Related Resource References

Resource Name	Reference
PubChem	948334

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