EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H19N5O4 |
| Net Charge | 0 |
| Average Mass | 429.436 |
| Monoisotopic Mass | 429.14370 |
| SMILES | COc1ccc(CNc2nc(-c3ccccc3)nn2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 |
| InChI | InChI=1S/C23H19N5O4/c1-32-20-13-7-16(8-14-20)15-24-23-25-21(17-5-3-2-4-6-17)26-27(23)22(29)18-9-11-19(12-10-18)28(30)31/h2-14H,15H2,1H3,(H,24,25,26) |
| InChIKey | NVXZUKLFCQXBAS-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [5-[(4-methoxyphenyl)methylamino]-3-phenyl-1,2,4-triazol-1-yl]-(4-nitrophenyl)methanone (CHEBI:120399) is a triazoles (CHEBI:35727) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31842 | LINCS |