EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18F3N3O2 |
| Net Charge | 0 |
| Average Mass | 353.344 |
| Monoisotopic Mass | 353.13511 |
| SMILES | COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1 |
| InChI | InChI=1S/C17H18F3N3O2/c1-25-12-7-5-11(6-8-12)9-21-15(24)10-23-14-4-2-3-13(14)16(22-23)17(18,19)20/h5-8H,2-4,9-10H2,1H3,(H,21,24) |
| InChIKey | MZSMOOKBLTVFCX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide (CHEBI:112908) is a methoxybenzenes (CHEBI:51683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24318 | LINCS |