CHEBI:130294 - (2R,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
ChEBI ID CHEBI:130294
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H23N3O2
Net Charge 0
Average Mass 373.448
Monoisotopic Mass 373.17903
InChI InChI=1S/C23H23N3O2/c24-14-20-22(18-11-9-17(10-12-18)16-6-2-1-3-7-16)21(15-27)26(20)23(28)19-8-4-5-13-25-19/h4-6,8-13,20-22,27H,1-3,7,15H2/t20-,21+,22+/m0/s1
InChIKey VZJYGGMRAJVGFO-BHDDXSALSA-N
SMILES C1CCC(=CC1)C2=CC=C(C=C2)[C@H]3[C@H](N([C@H]3C#N)C(=O)C4=CC=CC=N4)CO
ChEBI Ontology
Outgoing (2R,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:130294) is a azetidines (CHEBI:38777)
(2R,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:130294) is a benzenes (CHEBI:22712)
(2R,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:130294) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-41843 LINCS
View more database links