EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H15FN4O |
| Net Charge | 0 |
| Average Mass | 346.365 |
| Monoisotopic Mass | 346.12299 |
| SMILES | CC1=NNC(=O)C1=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 |
| InChI | InChI=1S/C20H15FN4O/c1-13-18(20(26)23-22-13)11-15-12-25(17-5-3-2-4-6-17)24-19(15)14-7-9-16(21)10-8-14/h2-12H,1H3,(H,23,26) |
| InChIKey | NYSNWKVZPJLWBH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-methyl-1H-pyrazol-5-one (CHEBI:94159) is a pyrazoles (CHEBI:26410) |
| 4-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-methyl-1H-pyrazol-5-one (CHEBI:94159) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4775 | LINCS |