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CHEBI:95383 - (2S,3R,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile
| Formula | C22H22N4O2 |
| Net Charge | 0 |
| Average Mass | 374.444 |
| Monoisotopic Mass | 374.17428 |
| SMILES | CN(C)CC(=O)N1[C@H](C#N)[C@@H](c2ccc(C#Cc3cccnc3)cc2)[C@H]1CO |
| InChI | InChI=1S/C22H22N4O2/c1-25(2)14-21(28)26-19(12-23)22(20(26)15-27)18-9-7-16(8-10-18)5-6-17-4-3-11-24-13-17/h3-4,7-11,13,19-20,22,27H,14-15H2,1-2H3/t19-,20-,22-/m1/s1 |
| InChIKey | VMSOXHKZIPRGST-KCZVDYSFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3R,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:95383) is a azetidines (CHEBI:38777) |
| (2S,3R,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:95383) is a benzenes (CHEBI:22712) |
| (2S,3R,4S)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-[2-(3-pyridinyl)ethynyl]phenyl]-2-azetidinecarbonitrile (CHEBI:95383) is a ring assembly (CHEBI:36820) |
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