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CHEBI:47664 - 8-chloro-3-methyl-11-[1-(4-pyridylacetyl)piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
| Formula | C27H26ClN3O |
| Net Charge | 0 |
| Average Mass | 443.978 |
| Monoisotopic Mass | 443.17644 |
| SMILES | Cc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C(=O)Cc2ccncc2)CC1 |
| InChI | InChI=1S/C27H26ClN3O/c1-18-14-22-3-2-21-16-23(28)4-5-24(21)26(27(22)30-17-18)20-8-12-31(13-9-20)25(32)15-19-6-10-29-11-7-19/h4-7,10-11,14,16-17H,2-3,8-9,12-13,15H2,1H3 |
| InChIKey | KJDFLBHKZQUEFX-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-chloro-3-methyl-11-[1-(4-pyridylacetyl)piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47664) is a N-acylpiperidine (CHEBI:48591) |
| 8-chloro-3-methyl-11-[1-(4-pyridylacetyl)piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47664) is a benzocycloheptapyridine (CHEBI:48593) |
| 8-chloro-3-methyl-11-[1-(4-pyridylacetyl)piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47664) is a organochlorine compound (CHEBI:36683) |
| 8-chloro-3-methyl-11-[1-(4-pyridylacetyl)piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine (CHEBI:47664) is a pyridines (CHEBI:26421) |
| IUPAC Name |
|---|
| 1-[4-(8-chloro-3-methyl-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidin-1-yl]-2-(pyridin-4-yl)ethanone |
| Synonym | Source |
|---|---|
| 1-[4-(8-CHLORO-3-METHYL-5,6-DIHYDRO-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YLIDENE)-PIPERIDIN-1-YL]-2-PYRIDIN-4-YL-ETHANONE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| S01 | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7667633 | Reaxys |