EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H21NO |
| Net Charge | 0 |
| Average Mass | 303.405 |
| Monoisotopic Mass | 303.16231 |
| SMILES | Cc1ccc(C=C2CNCC(=Cc3ccc(C)cc3)C2=O)cc1 |
| InChI | InChI=1S/C21H21NO/c1-15-3-7-17(8-4-15)11-19-13-22-14-20(21(19)23)12-18-9-5-16(2)6-10-18/h3-12,22H,13-14H2,1-2H3 |
| InChIKey | PKCYYPHSCUSQDK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3,5-bis[(4-methylphenyl)methylidene]-4-piperidinone (CHEBI:92661) is a piperidones (CHEBI:48589) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2827 | LINCS |