EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128728 - (1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide

ChEBI IDCHEBI:128728
ChEBI Name(1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
Stars
DownloadsMolfile
FormulaC22H24FN3O3
Net Charge0
Average Mass397.450
Monoisotopic Mass397.18017
SMILESCCCC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H24FN3O3/c1-2-5-20(28)25-12-18-21(16-6-3-4-7-17(16)25)19(13-27)26(18)22(29)24-15-10-8-14(23)9-11-15/h3-4,6-11,18-19,21,27H,2,5,12-13H2,1H3,(H,24,29)/t18-,19+,21+/m0/s1
InChIKeyCSSMSPNQBLKMRG-QKNQBKEWSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide (CHEBI:128728) is a quinolines (CHEBI:26513)
Manual XrefsDatabases
LSM-40282LINCS