EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22BrN3O2 |
| Net Charge | 0 |
| Average Mass | 440.341 |
| Monoisotopic Mass | 439.08954 |
| SMILES | Cc1onc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1Br |
| InChI | InChI=1S/C22H22BrN3O2/c1-16-19(23)20(24-28-16)22(27)26-14-12-25(13-15-26)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,21H,12-15H2,1H3 |
| InChIKey | YVZUCGVMWACAFH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4-bromo-5-methyl-3-isoxazolyl)-[4-(diphenylmethyl)-1-piperazinyl]methanone (CHEBI:92877) is a diarylmethane (CHEBI:51614) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3113 | LINCS |