CHEBI:102311 - (2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile

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ChEBI Name (2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
ChEBI ID CHEBI:102311
Stars This entity has been manually annotated by a third party.
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Formula C18H15FN2O2
Net Charge 0
Average Mass 310.323
Monoisotopic Mass 310.11176
InChI InChI=1S/C18H15FN2O2/c19-14-9-5-4-8-13(14)18(23)21-15(10-20)17(16(21)11-22)12-6-2-1-3-7-12/h1-9,15-17,22H,11H2/t15-,16-,17+/m1/s1
InChIKey BPKNALSRVQDTLI-ZACQAIPSSA-N
SMILES C1=CC=C(C=C1)[C@@H]2[C@H](N([C@@H]2C#N)C(=O)C3=CC=CC=C3F)CO
ChEBI Ontology
Outgoing (2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:102311) is a azetidines (CHEBI:38777)
(2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:102311) is a benzenes (CHEBI:22712)
(2S,3S,4S)-1-[(2-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile (CHEBI:102311) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-13664 LINCS
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