EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20N2O3 |
| Net Charge | 0 |
| Average Mass | 312.369 |
| Monoisotopic Mass | 312.14739 |
| SMILES | COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1)CC2 |
| InChI | InChI=1S/C18H20N2O3/c1-22-16-10-13-8-9-20(12-14(13)11-17(16)23-2)18(21)19-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21) |
| InChIKey | VYWJFEZOCIEGAD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CHEBI:121234) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32677 | LINCS |