EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22BrN3O2 |
| Net Charge | 0 |
| Average Mass | 428.330 |
| Monoisotopic Mass | 427.08954 |
| SMILES | O=C(COc1ccc(Br)cc1)N1CCN(Cc2cnc3ccccc23)CC1 |
| InChI | InChI=1S/C21H22BrN3O2/c22-17-5-7-18(8-6-17)27-15-21(26)25-11-9-24(10-12-25)14-16-13-23-20-4-2-1-3-19(16)20/h1-8,13,23H,9-12,14-15H2 |
| InChIKey | WRAAMQSIINUQQB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-(4-bromophenoxy)-1-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]ethanone (CHEBI:104203) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15567 | LINCS |