EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N2O |
| Net Charge | 0 |
| Average Mass | 294.398 |
| Monoisotopic Mass | 294.17321 |
| SMILES | CCCCCCCOc1ccc(-c2ccc(C#N)cn2)cc1 |
| InChI | InChI=1S/C19H22N2O/c1-2-3-4-5-6-13-22-18-10-8-17(9-11-18)19-12-7-16(14-20)15-21-19/h7-12,15H,2-6,13H2,1H3 |
| InChIKey | PDEYNIQMZJWFNN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-(4-heptoxyphenyl)-3-pyridinecarbonitrile (CHEBI:108223) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19600 | LINCS |