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CHEBI:172343 - SSR161421

ChEBI IDCHEBI:172343
ChEBI NameSSR161421
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FormulaC25H20N4O2
Net Charge0
Average Mass408.461
Monoisotopic Mass408.15863
SMILESCOc1ccc(C(=O)Nc2nc3ccccc3c(NCc3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H20N4O2/c1-31-19-13-11-18(12-14-19)25(30)29-24-21(15-26)23(20-9-5-6-10-22(20)28-24)27-16-17-7-3-2-4-8-17/h2-14H,16H2,1H3,(H2,27,28,29,30)
InChIKeyFFHQNQNMELQOEF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
SSR161421 (CHEBI:172343) is a aminoquinoline (CHEBI:36709)
IUPAC Name 
N-[4-(benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide
Manual XrefsDatabases
8376996ChemSpider