EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H48N4O |
| Net Charge | 0 |
| Average Mass | 540.796 |
| Monoisotopic Mass | 540.38281 |
| SMILES | [H]c1nc([H])c([H])c(N(c2c([H])c([H])c(C([H])([H])N(C(=O)c3c([H])c([H])c(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])c([H])c3[H])C3([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C3([H])[H])c([H])c2[H])C([H])([H])[H])c1[H] |
| InChI | InChI=1S/C35H48N4O/c1-5-6-7-8-29-9-13-31(14-10-29)35(40)39(34-20-25-38(26-21-34)24-19-28(2)3)27-30-11-15-32(16-12-30)37(4)33-17-22-36-23-18-33/h9-18,22-23,28,34H,5-8,19-21,24-27H2,1-4H3 |
| InChIKey | WRFRQUOWNCJODU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[1-(3-methylbutyl)piperidin-4-yl]-N-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide (CHEBI:40466) is a amidopiperidine (CHEBI:48613) |
| N-[1-(3-methylbutyl)piperidin-4-yl]-N-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide (CHEBI:40466) is a aminopyridine (CHEBI:38207) |
| N-[1-(3-methylbutyl)piperidin-4-yl]-N-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide (CHEBI:40466) is a benzamides (CHEBI:22702) |
| Synonyms | Source |
|---|---|
| N-[1-(3-METHYLBUTYL)PIPERIDIN-4-YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-4-PENTYLBENZAMIDE | PDBeChem |
| N-[1-(3-methylbutyl)piperidin-4-yl]-N-{4-[methyl(pyridin-4-yl)amino]benzyl}-4-pentylbenzamide | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| A2T | PDBeChem |