EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H22N2O |
| Net Charge | 0 |
| Average Mass | 282.387 |
| Monoisotopic Mass | 282.17321 |
| SMILES | CNCCCN1c2ccccc2CCc2cc(O)ccc21 |
| InChI | InChI=1S/C18H22N2O/c1-19-11-4-12-20-17-6-3-2-5-14(17)7-8-15-13-16(21)9-10-18(15)20/h2-3,5-6,9-10,13,19,21H,4,7-8,11-12H2,1H3 |
| InChIKey | NVJBOLMRGMDGLD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 11-[3-(methylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol (CHEBI:125680) is a dibenzoazepine (CHEBI:47804) |
| Manual Xrefs | Databases |
|---|---|
| HMDB0060992 | HMDB |
| LSM-37249 | LINCS |