EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H29N3O2 |
| Net Charge | 0 |
| Average Mass | 439.559 |
| Monoisotopic Mass | 439.22598 |
| SMILES | CN(C)C(=O)c1cccc(-c2ccc(C3[C@@H]4CN(C(=O)Cc5ccccc5)C[C@H]3N4)cc2)c1 |
| InChI | InChI=1S/C28H29N3O2/c1-30(2)28(33)23-10-6-9-22(16-23)20-11-13-21(14-12-20)27-24-17-31(18-25(27)29-24)26(32)15-19-7-4-3-5-8-19/h3-14,16,24-25,27,29H,15,17-18H2,1-2H3/t24-,25+,27? |
| InChIKey | SRCIAGAERCUWJC-YHQISMHQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,N-dimethyl-3-[4-[(1S,5R)-3-(1-oxo-2-phenylethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (CHEBI:124999) is a piperidines (CHEBI:26151) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36461 | LINCS |