EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H19N3O |
| Net Charge | 0 |
| Average Mass | 317.392 |
| Monoisotopic Mass | 317.15281 |
| SMILES | COc1cc(=C2C=c3ccccc3=N2)nc1=Cc1nc(C)cc1C |
| InChI | InChI=1S/C20H19N3O/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17/h4-11,21,23H,1-3H3 |
| InChIKey | CVCLJVVBHYOXDC-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole (CHEBI:94522) is a dipyrrins (CHEBI:36749) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5338 | LINCS |