Compound Identification
SMILES
OC(CC(=O)CC([O-])=O)\C=C\C1=C(N(CCC2=CC=CC=C2)C(=O)C2=CC=CC=C12)C1=CC=C(F)C=C1
InChIKey
InChIKey=BERSKMKNYYJELN-CCEZHUSRSA-M
Formula
C30H25FNO5
Mass
498.531
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1-phenethylisoquinolines
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1-phenethylisoquinolines
Intermediate Tree Nodes
Not available
Direct Parent
1-phenethylisoquinolines
Alternative Parents
Phenylpyridines Isoquinolones and derivatives Medium-chain keto acids and derivatives Halogenated fatty acids Heterocyclic fatty acids Pyridinones Fluorobenzenes Hydroxy fatty acids Beta-keto acids and derivatives Unsaturated fatty acids 1,3-dicarbonyl compounds Aryl fluorides Beta-hydroxy ketones Heteroaromatic compounds Secondary alcohols Lactams Carboxylic acid salts Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenethylisoquinoline - 2-phenylpyridine - Isoquinolone - Medium-chain keto acid - Hydroxy fatty acid - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Fluorobenzene - Pyridinone - Beta-keto acid - Unsaturated fatty acid - Aryl fluoride - Pyridine - Monocyclic benzene moiety - Aryl halide - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Keto acid - Beta-hydroxy ketone - Heteroaromatic compound - Secondary alcohol - Lactam - Ketone - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenethylisoquinolines. These are organic aromatic compounds containing a quinoline ring system substituted at the 1-position by a phenethyl group.
External Descriptors
Not available