EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H17N3O |
| Net Charge | 0 |
| Average Mass | 315.376 |
| Monoisotopic Mass | 315.13716 |
| SMILES | CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C)c2ccccc12 |
| InChI | InChI=1S/C20H17N3O/c1-14-18(20(24)23(21-14)16-8-4-3-5-9-16)12-15-13-22(2)19-11-7-6-10-17(15)19/h3-13H,1-2H3 |
| InChIKey | LDXSNVKQYCIAAK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-methyl-4-[(1-methyl-3-indolyl)methylidene]-2-phenyl-3-pyrazolone (CHEBI:112172) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23584 | LINCS |