EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H21N3O |
| Net Charge | 0 |
| Average Mass | 295.386 |
| Monoisotopic Mass | 295.16846 |
| SMILES | O=C(C=Cc1cnc2ccccc2n1)NC1CCCCCC1 |
| InChI | InChI=1S/C18H21N3O/c22-18(21-14-7-3-1-2-4-8-14)12-11-15-13-19-16-9-5-6-10-17(16)20-15/h5-6,9-14H,1-4,7-8H2,(H,21,22) |
| InChIKey | QYPYBORVOYFBNI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-cycloheptyl-3-(2-quinoxalinyl)-2-propenamide (CHEBI:116837) is a quinoxaline derivative (CHEBI:38771) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28288 | LINCS |