EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H27FN2O3 |
| Net Charge | 0 |
| Average Mass | 386.467 |
| Monoisotopic Mass | 386.20057 |
| SMILES | CCC(=O)c1ccc(OCC(O)CN2CCN(c3ccc(F)cc3)CC2)cc1 |
| InChI | InChI=1S/C22H27FN2O3/c1-2-22(27)17-3-9-21(10-4-17)28-16-20(26)15-24-11-13-25(14-12-24)19-7-5-18(23)6-8-19/h3-10,20,26H,2,11-16H2,1H3 |
| InChIKey | MNTWOTUEQFPHDH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-[4-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-hydroxypropoxy]phenyl]-1-propanone (CHEBI:116829) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28280 | LINCS |