EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C18H16FN3O2 |
| Net Charge | 0 |
| Average Mass | 325.343 |
| Monoisotopic Mass | 325.12265 |
| SMILES | N#C[C@H]1[C@@H](c2ccccc2)[C@H](CO)N1C(=O)Nc1cccc(F)c1 |
| InChI | InChI=1S/C18H16FN3O2/c19-13-7-4-8-14(9-13)21-18(24)22-15(10-20)17(16(22)11-23)12-5-2-1-3-6-12/h1-9,15-17,23H,11H2,(H,21,24)/t15-,16-,17+/m0/s1 |
| InChIKey | NDKYDEPQZPJKDZ-YESZJQIVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide (CHEBI:100691) is a azetidines (CHEBI:38777) |
| (2R,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide (CHEBI:100691) is a benzenes (CHEBI:22712) |
| (2R,3R,4R)-2-cyano-N-(3-fluorophenyl)-4-(hydroxymethyl)-3-phenyl-1-azetidinecarboxamide (CHEBI:100691) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-12065 | LINCS |