79V

(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile

Created:	2016-09-19
Last modified:	2020-06-05

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2 entries where 79V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	3
Bond Count	38
Aromatic Bond Count	12

2D diagram of 79V

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Chemical Component Summary
Name	(2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile
Synonyms	BRD4592
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{R})-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
Formula	C₁₇ H₁₅ F N₂ O
Molecular Weight	282.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C1NC(C#N)C1c3ccc(c2c(cccc2)F)cc3)O
SMILES	CACTVS	3.385	OC[CH]1N[CH](C#N)[CH]1c2ccc(cc2)c3ccccc3F
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2ccc(cc2)C3C(NC3C#N)CO)F
Canonical SMILES	CACTVS	3.385	OC[C@@H]1N[C@@H](C#N)[C@@H]1c2ccc(cc2)c3ccccc3F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(c(c1)c2ccc(cc2)[C@@H]3[C@@H](N[C@H]3C#N)CO)F
InChI	InChI	1.03	InChI=1S/C17H15FN2O/c18-14-4-2-1-3-13(14)11-5-7-12(8-6-11)17-15(9-19)20-16(17)10-21/h1-8,15-17,20-21H,10H2/t15-,16-,17-/m0/s1
InChIKey	InChI	1.03	RECLLIAWOQFAMC-ULQDDVLXSA-N

Related Resource References

Resource Name	Reference
PubChem	54650477

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