EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H19F2N3O |
| Net Charge | 0 |
| Average Mass | 367.399 |
| Monoisotopic Mass | 367.14962 |
| SMILES | O=C(Cc1ccccc1)NC1CCCc2c1cnn2-c1ccc(F)cc1F |
| InChI | InChI=1S/C21H19F2N3O/c22-15-9-10-20(17(23)12-15)26-19-8-4-7-18(16(19)13-24-26)25-21(27)11-14-5-2-1-3-6-14/h1-3,5-6,9-10,12-13,18H,4,7-8,11H2,(H,25,27) |
| InChIKey | XJHRZIVGSPMPFJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylacetamide (CHEBI:91681) is a pyrazoles (CHEBI:26410) |
| N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-phenylacetamide (CHEBI:91681) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1522 | LINCS |