Compound Identification
SMILES
NCCCC[C@@H](NN1CC2=CC=CC=C2C(CNC2CCCC2)C1C(=O)C1=C(Cl)C=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=DHHZQEHQHNCUKP-CNWYCCFASA-N
Formula
C28H36Cl2N4O3
Mass
547.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Alpha amino acids and derivatives Tetrahydroisoquinolines Aryl alkyl ketones Benzoyl derivatives Dichlorobenzenes Medium-chain fatty acids Amino fatty acids Aralkylamines Heterocyclic fatty acids Halogenated fatty acids Aryl chlorides Gamma-amino ketones Vinylogous halides Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Alkylhydrazines Monocarboxylic acids and derivatives Organochlorides Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - 1,3-dichlorobenzene - Benzoyl - Medium-chain fatty acid - Aryl alkyl ketone - Heterocyclic fatty acid - Amino fatty acid - Halogenated fatty acid - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Gamma-aminoketone - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acid - Fatty acyl - Vinylogous halide - Amino acid - Amino acid or derivatives - Alkylhydrazine - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Primary amine - Amine - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrazine derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available