EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19N3O |
| Net Charge | 0 |
| Average Mass | 281.359 |
| Monoisotopic Mass | 281.15281 |
| SMILES | N#CC1=C(N2CCCCC2)c2cc3c(n2C1=O)CCCC3 |
| InChI | InChI=1S/C17H19N3O/c18-11-13-16(19-8-4-1-5-9-19)15-10-12-6-2-3-7-14(12)20(15)17(13)21/h10H,1-9H2 |
| InChIKey | ZPYOXTGXNWDWLA-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-oxo-3-(1-piperidinyl)-5,6,7,8-tetrahydropyrrolo[1,2-a]indole-2-carbonitrile (CHEBI:112671) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24081 | LINCS |