EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H21N3O5 |
| Net Charge | 0 |
| Average Mass | 383.404 |
| Monoisotopic Mass | 383.14812 |
| SMILES | CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])CC1 |
| InChI | InChI=1S/C20H21N3O5/c1-13-6-8-22(9-7-13)16-4-2-14(10-17(16)23(25)26)20(24)21-15-3-5-18-19(11-15)28-12-27-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,21,24) |
| InChIKey | BLEXXZVWXZWESJ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(1,3-benzodioxol-5-yl)-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide (CHEBI:122074) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33517 | LINCS |