EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H18F3N5O2 |
| Net Charge | 0 |
| Average Mass | 405.380 |
| Monoisotopic Mass | 405.14126 |
| SMILES | COc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(C(F)(F)F)c2)c1N |
| InChI | InChI=1S/C19H18F3N5O2/c1-11-6-7-15(29-2)14(8-11)24-18(28)16-17(23)27(26-25-16)10-12-4-3-5-13(9-12)19(20,21)22/h3-9H,10,23H2,1-2H3,(H,24,28) |
| InChIKey | WPCLARMZPFMCID-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-amino-N-(2-methoxy-5-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4-triazolecarboxamide (CHEBI:121219) is a aromatic amide (CHEBI:62733) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32662 | LINCS |