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

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ChEBI Name (1S,2aR,8bR)-N-(4-fluorophenyl)-1-(hydroxymethyl)-4-(1-oxobutyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
ChEBI ID CHEBI:128728
Stars This entity has been manually annotated by a third party.
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Formula C22H24FN3O3
Net Charge 0
Average Mass 397.443
Monoisotopic Mass 397.18017
InChI InChI=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
InChIKey CSSMSPNQBLKMRG-QKNQBKEWSA-N
SMILES CCCC(=O)N1C[C@H]2[C@H]([C@H](N2C(=O)NC3=CC=C(C=C3)F)CO)C4=CC=CC=C41
ChEBI Ontology
Outgoing (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)
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