EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28ClN3O3 |
| Net Charge | 0 |
| Average Mass | 417.937 |
| Monoisotopic Mass | 417.18192 |
| SMILES | COc1ccc(OC)c(CN2CCC(CNC(=O)Nc3cccc(Cl)c3)CC2)c1 |
| InChI | InChI=1S/C22H28ClN3O3/c1-28-20-6-7-21(29-2)17(12-20)15-26-10-8-16(9-11-26)14-24-22(27)25-19-5-3-4-18(23)13-19/h3-7,12-13,16H,8-11,14-15H2,1-2H3,(H2,24,25,27) |
| InChIKey | REICQRPQROQVNW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(3-chlorophenyl)-3-[[1-[(2,5-dimethoxyphenyl)methyl]-4-piperidinyl]methyl]urea (CHEBI:112921) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24331 | LINCS |