EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H13N3 |
| Net Charge | 0 |
| Average Mass | 247.301 |
| Monoisotopic Mass | 247.11095 |
| SMILES | CC1=CC(=CC=C(C#N)C#N)N(C)c2ccccc21 |
| InChI | InChI=1S/C16H13N3/c1-12-9-14(8-7-13(10-17)11-18)19(2)16-6-4-3-5-15(12)16/h3-9H,1-2H3 |
| InChIKey | VIAUQUMBQHPXAE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-(1,4-dimethyl-2-quinolinylidene)ethylidene]propanedinitrile (CHEBI:116849) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-28299 | LINCS |