| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:56:00 UTC |
|---|
| Update Date | 2025-03-21 18:04:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00052772 |
|---|
| Frequency | 61.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C22H23ClN2O2 |
|---|
| Molecular Mass | 382.1448 |
|---|
| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccncc32)CC1 |
|---|
| InChI Key | PFNWBFSCMWUKAZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzocycloheptapyridines |
|---|
| Subclass | benzocycloheptapyridines |
|---|
| Direct Parent | benzocycloheptapyridines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
|---|
| Substituents | carbonyl grouporganochloridepolyhalopyridineorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acidpiperidinearyl chloridecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermethylpyridinearyl halidepyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
