| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:52 UTC |
|---|
| Update Date | 2025-03-21 18:34:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100169 |
|---|
| Frequency | 27.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H16N2 |
|---|
| Molecular Mass | 248.1313 |
|---|
| SMILES | N#Cc1ccc2c(c1)CCNC2Cc1ccccc1 |
|---|
| InChI Key | VIRLLOHDHYPXFV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | benzylisoquinolines |
|---|
| Direct Parent | benzylisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesnitrilesorganopnictogen compoundstetrahydroisoquinolines |
|---|
| Substituents | secondary aliphatic aminemonocyclic benzene moietynitrileazacyclesecondary aminebenzylisoquinolinearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileamine |
|---|
