EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H20FN3O |
| Net Charge | 0 |
| Average Mass | 373.431 |
| Monoisotopic Mass | 373.15904 |
| SMILES | O=C(c1ccc(F)cc1)N1C[C@@H]2N[C@H](C1)C2c1ccc(-c2cccnc2)cc1 |
| InChI | InChI=1S/C23H20FN3O/c24-19-9-7-17(8-10-19)23(28)27-13-20-22(21(14-27)26-20)16-5-3-15(4-6-16)18-2-1-11-25-12-18/h1-12,20-22,26H,13-14H2/t20-,21+,22? |
| InChIKey | NBIJEXVMYQNMKR-CBQGHPETSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4-fluorophenyl)-[(1R,5S)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (CHEBI:125078) is a N-acylpiperidine (CHEBI:48591) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36540 | LINCS |