EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22FN3O |
| Net Charge | 0 |
| Average Mass | 351.425 |
| Monoisotopic Mass | 351.17469 |
| SMILES | CC=Cc1ccc(C2[C@@H]3CN(C(=O)Nc4ccccc4F)C[C@H]2N3)cc1 |
| InChI | InChI=1S/C21H22FN3O/c1-2-5-14-8-10-15(11-9-14)20-18-12-25(13-19(20)23-18)21(26)24-17-7-4-3-6-16(17)22/h2-11,18-20,23H,12-13H2,1H3,(H,24,26)/t18-,19+,20? |
| InChIKey | RUQKMPOOEIYMMQ-YOFSQIOKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36580 (CHEBI:125118) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36580 | LINCS |