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CAS Number: 90947-07-2
1-oxo-1,2-dihydroisoquinoline-5-carbonitrile

Structure

 1-oxo-1,2-dihydroisoquinoline-5-carbonitrile
Name: 1-oxo-1,2-dihydroisoquinoline-5-carbonitrile
Synonyms:
General Information
Product Number: 90947072

CAS Registry Number 90947-07-2
Name:
5-?Isoquinolinecarbonit?rile, 1,?2-?dihydro-?1-?oxo-

 

Chemical Formula: C10H6N2O
Exact Mass: 170.05
Molecular Weight: 170.17
m/z: 170.05 (100.0%), 171.05 (11.7%)

 

InChI:InChI=1S/C10H6N2O/c11-6-7-2-1-3-9-8(7)4-5-12-10(9)13/h1-5H,(H,12,13)

InChI Key:KQUKHTDJZHDLBP-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=C2C=CNC(=O)C2=C1)C#N

Specification

98%
References

PCT Int. Appl. (2009), WO 2009133136 A1 20091105.                                  

Journal of Medicinal Chemistry (2011), 54(7), 2049-2059.  
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