| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:15 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172170 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15ClN2 |
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| Molecular Mass | 282.0924 |
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| SMILES | CN1CCc2cc(C#N)ccc2C1c1ccc(Cl)cc1 |
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| InChI Key | LDXVQOSCQSIODH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | 1-phenyltetrahydroisoquinolines |
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| Direct Parent | 1-phenyltetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aralkylaminesaryl chloridesazacyclic compoundschlorobenzeneshydrocarbon derivativesnitrilesorganochloridesorganopnictogen compoundstrialkylamines |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietynitrileazacycleorganochloridetertiary aliphatic amineorganohalogen compoundaralkylamine1-phenyltetrahydroisoquinolinearyl halidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneaminecarbonitriletertiary amine |
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