| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:35 UTC |
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| Update Date | 2025-03-25 01:00:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246154 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16N2 |
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| Molecular Mass | 248.1313 |
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| SMILES | CC1(c2ccccc2)CNCc2cc(C#N)ccc21 |
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| InChI Key | LRGVBLJDLJGYCB-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 | 4-phenyltetrahydroisoquinolines |
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| Direct Parent | 4-phenyltetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesdialkylamineshydrocarbon derivativesnitrilesorganopnictogen compounds |
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| Substituents | secondary aliphatic aminemonocyclic benzene moietynitrileazacyclesecondary amine4-phenyltetrahydroisoquinolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileamine |
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