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CHEBI:129603 - 3-[4-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile

ChEBI IDCHEBI:129603
ChEBI Name3-[4-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile
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DownloadsMolfile
FormulaC24H24F3N3O2
Net Charge0
Average Mass443.469
Monoisotopic Mass443.18206
SMILESCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(C#N)c3)cc1)[C@@H](CO)N2CCC(F)(F)F
InChIInChI=1S/C24H24F3N3O2/c1-16(32)29-14-23(15-29)22(21(13-31)30(23)10-9-24(25,26)27)19-7-5-18(6-8-19)20-4-2-3-17(11-20)12-28/h2-8,11,21-22,31H,9-10,13-15H2,1H3/t21-,22+/m1/s1
InChIKeyQZFUSVJIMZSOPS-YADHBBJMSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[4-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile (CHEBI:129603) is a biphenyls (CHEBI:22888)
3-[4-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile (CHEBI:129603) is a nitrile (CHEBI:18379)
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