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CHEBI:45885 - 4-({(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile

ChEBI IDCHEBI:45885
ChEBI Name4-({(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile
Stars
ASCII Name4-({(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile
Last Modified22 February 2018
DownloadsMolfile
FormulaC18H20F3N3O3
Net Charge0
Average Mass383.370
Monoisotopic Mass383.14568
SMILES[H]O[C@@](C(=O)N1C([H])([H])[C@@]([H])(C([H])([H])[H])N(C(=O)c2c([H])c([H])c(C#N)c([H])c2[H])C([H])([H])[C@]1([H])C([H])([H])[H])(C([H])([H])[H])C(F)(F)F
InChIInChI=1S/C18H20F3N3O3/c1-11-10-24(16(26)17(3,27)18(19,20)21)12(2)9-23(11)15(25)14-6-4-13(8-22)5-7-14/h4-7,11-12,27H,9-10H2,1-3H3/t11-,12+,17-/m1/s1
InChIKeyIWFSHKKFDSWNLZ-BWACUDIHSA-N
ChEBI Ontology
Outgoing Relation(s)
4-({(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile (CHEBI:45885) is a N-acylpiperazine (CHEBI:46844)
4-({(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile (CHEBI:45885) is a nitrile (CHEBI:18379)
4-({(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrile (CHEBI:45885) is a organofluorine compound (CHEBI:37143)
Synonym  Source
4-({(2R,5S)-2,5-dimethyl-4-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperazin-1-yl}carbonyl)benzonitrilePDBeChem
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