651

(3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol

Created:	2010-01-29
Last modified:	2011-06-04

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3 entries where 651 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	13

2D diagram of 651

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Chemical Component Summary
Name	(3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol
Systematic Name (OpenEye OEToolkits)	(3R)-3-(4-phenylphenyl)-1-azabicyclo[2.2.2]octan-3-ol
Formula	C₁₉ H₂₁ N O
Molecular Weight	279.376
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	O[C]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)c2ccc(cc2)C3(CN4CCC3CC4)O
Canonical SMILES	CACTVS	3.352	O[C@@]1(CN2CCC1CC2)c3ccc(cc3)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)c2ccc(cc2)[C@]3(CN4CCC3CC4)O
InChI	InChI	1.03	InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2/t19-/m0/s1
InChIKey	InChI	1.03	WPCQYFUQHBLGAX-IBGZPJMESA-N

Related Resource References

Resource Name	Reference
PubChem	49766484

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