EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H39N3O2 |
| Net Charge | 0 |
| Average Mass | 449.639 |
| Monoisotopic Mass | 449.30423 |
| SMILES | C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(OC)c2)C[C@H]1C |
| InChI | InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1 |
| InChIKey | KQWVAUSXZDRQPZ-UMTXDNHDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide (CHEBI:109556) is a diarylmethane (CHEBI:51614) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20983 | LINCS |