EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N2O5 |
| Net Charge | 0 |
| Average Mass | 382.416 |
| Monoisotopic Mass | 382.15287 |
| SMILES | COc1cc(NC(=O)Cn2c(C)cc3ccccc3c2=O)cc(OC)c1OC |
| InChI | InChI=1S/C21H22N2O5/c1-13-9-14-7-5-6-8-16(14)21(25)23(13)12-19(24)22-15-10-17(26-2)20(28-4)18(11-15)27-3/h5-11H,12H2,1-4H3,(H,22,24) |
| InChIKey | CAZGIWNATCYFBK-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(3-methyl-1-oxo-2-isoquinolinyl)-N-(3,4,5-trimethoxyphenyl)acetamide (CHEBI:109849) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21277 | LINCS |