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CHEBI:98335 - (2S,3S,4S)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)-1-(2-pyridin-4-ylacetyl)azetidine-2-carbonitrile

ChEBI IDCHEBI:98335
ChEBI Name(2S,3S,4S)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)-1-(2-pyridin-4-ylacetyl)azetidine-2-carbonitrile
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FormulaC24H25N3O2
Net Charge0
Average Mass387.483
Monoisotopic Mass387.19468
SMILESN#C[C@@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)Cc1ccncc1
InChIInChI=1S/C24H25N3O2/c25-15-21-24(20-8-6-19(7-9-20)18-4-2-1-3-5-18)22(16-28)27(21)23(29)14-17-10-12-26-13-11-17/h4,6-13,21-22,24,28H,1-3,5,14,16H2/t21-,22-,24+/m1/s1
InChIKeyGMLMGXOKFZUTJK-AKFKNWHVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,4S)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)-1-(2-pyridin-4-ylacetyl)azetidine-2-carbonitrile (CHEBI:98335) is a azetidines (CHEBI:38777)
(2S,3S,4S)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)-1-(2-pyridin-4-ylacetyl)azetidine-2-carbonitrile (CHEBI:98335) is a benzenes (CHEBI:22712)
(2S,3S,4S)-3-[4-(cyclohexen-1-yl)phenyl]-4-(hydroxymethyl)-1-(2-pyridin-4-ylacetyl)azetidine-2-carbonitrile (CHEBI:98335) is a ring assembly (CHEBI:36820)
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