EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22ClN3O3 |
| Net Charge | 0 |
| Average Mass | 411.889 |
| Monoisotopic Mass | 411.13497 |
| SMILES | O=C(c1ccco1)N1CCN(C(=O)C2CCCc3c2nc2ccc(Cl)cc32)CC1 |
| InChI | InChI=1S/C22H22ClN3O3/c23-14-6-7-18-17(13-14)15-3-1-4-16(20(15)24-18)21(27)25-8-10-26(11-9-25)22(28)19-5-2-12-29-19/h2,5-7,12-13,16,24H,1,3-4,8-11H2 |
| InChIKey | FRSZNZNJHSDBGI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methanone (CHEBI:116813) is a carbazoles (CHEBI:48513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28264 | LINCS |