CHEBI:102410 - (2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile

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ChEBI Name (2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
ChEBI ID CHEBI:102410
Stars This entity has been manually annotated by a third party.
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Formula C19H22N2O
Net Charge 0
Average Mass 294.391
Monoisotopic Mass 294.17321
InChI InChI=1S/C19H22N2O/c20-12-17-19(18(13-22)21-17)16-10-8-15(9-11-16)7-6-14-4-2-1-3-5-14/h8-11,14,17-19,21-22H,1-5,13H2/t17-,18+,19-/m1/s1
InChIKey ANDSQWRABKLSGR-CEXWTWQISA-N
SMILES C1CCC(CC1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO
ChEBI Ontology
Outgoing (2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:102410) is a azetidines (CHEBI:38777)
(2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:102410) is a benzenes (CHEBI:22712)
(2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile (CHEBI:102410) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-13761 LINCS
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