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CHEBI:99706 - 4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:99706
ChEBI Name4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
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DownloadsMolfile
FormulaC20H21N3O2
Net Charge0
Average Mass335.407
Monoisotopic Mass335.16338
SMILESCN(C)C(=O)c1ccc(-c2ccc([C@H]3[C@@H](C#N)N[C@@H]3CO)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-23(2)20(25)16-9-5-14(6-10-16)13-3-7-15(8-4-13)19-17(11-21)22-18(19)12-24/h3-10,17-19,22,24H,12H2,1-2H3/t17-,18-,19+/m1/s1
InChIKeyBHVPTKKRAGQFTB-QRVBRYPASA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide (CHEBI:99706) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-11085LINCS