CHEBI:100607 - (2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
ChEBI ID CHEBI:100607
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C22H21N3O2
Net Charge 0
Average Mass 359.422
Monoisotopic Mass 359.16338
InChI InChI=1S/C22H21N3O2/c23-13-19-21(17-10-8-16(9-11-17)15-5-1-2-6-15)20(14-26)25(19)22(27)18-7-3-4-12-24-18/h3-5,7-12,19-21,26H,1-2,6,14H2/t19-,20-,21+/m0/s1
InChIKey MYJKJHLNWUIKMG-PCCBWWKXSA-N
SMILES C1CC=C(C1)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,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:100607) is a azetidines (CHEBI:38777)
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:100607) is a benzenes (CHEBI:22712)
(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile (CHEBI:100607) is a ring assembly (CHEBI:36820)
Manual Xref Database
LSM-11981 LINCS
View more database links