EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H31N3O2 |
| Net Charge | 0 |
| Average Mass | 405.542 |
| Monoisotopic Mass | 405.24163 |
| SMILES | CCN(CC)CCCNC=C1C(=O)N(c2c(C)cccc2C)C(=O)c2ccccc21 |
| InChI | InChI=1S/C25H31N3O2/c1-5-27(6-2)16-10-15-26-17-22-20-13-7-8-14-21(20)24(29)28(25(22)30)23-18(3)11-9-12-19(23)4/h7-9,11-14,17,26H,5-6,10,15-16H2,1-4H3 |
| InChIKey | CRVGULJJFAQILD-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[3-(diethylamino)propylamino]methylidene]-2-(2,6-dimethylphenyl)isoquinoline-1,3-dione (CHEBI:111427) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-22883 | LINCS |