EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H21ClN2 |
| Net Charge | 0 |
| Average Mass | 300.833 |
| Monoisotopic Mass | 300.13933 |
| SMILES | CNCCCN1c2ccccc2CCc2ccc(Cl)cc21 |
| InChI | InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3 |
| InChIKey | VPIXQGUBUKFLRF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-1-propanamine (CHEBI:124969) is a dibenzoazepine (CHEBI:47804) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36428 | LINCS |
| HMDB0060947 | HMDB |