EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:114707 - 6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

ChEBI IDCHEBI:114707
ChEBI Name6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Stars
DownloadsMolfile
FormulaC21H18F3N5
Net Charge0
Average Mass397.404
Monoisotopic Mass397.15143
SMILESCCN1C=CC2=C(C#N)C(N)C(C#N)(C#N)C(c3ccccc3C(F)(F)F)C2C1
InChIInChI=1S/C21H18F3N5/c1-2-29-8-7-13-15(9-25)19(28)20(11-26,12-27)18(16(13)10-29)14-5-3-4-6-17(14)21(22,23)24/h3-8,16,18-19H,2,10,28H2,1H3
InChIKeyRVFTYZUZLXPIGM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-amino-2-ethyl-8-[2-(trifluoromethyl)phenyl]-1,6,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (CHEBI:114707) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual XrefsDatabases
LSM-26169LINCS