EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H25N3O2 |
| Net Charge | 0 |
| Average Mass | 399.494 |
| Monoisotopic Mass | 399.19468 |
| SMILES | CC(NNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)=C1C=CC=CC1=O |
| InChI | InChI=1S/C25H25N3O2/c1-18(23-8-4-5-9-24(23)29)26-27-25(30)21-12-10-19(11-13-21)16-28-15-14-20-6-2-3-7-22(20)17-28/h2-13,26H,14-17H2,1H3,(H,27,30) |
| InChIKey | ADPSQAAJWSLISW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N'-[1-(6-oxo-1-cyclohexa-2,4-dienylidene)ethyl]benzohydrazide (CHEBI:121771) is a isoquinolines (CHEBI:24922) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33214 | LINCS |