Compound Identification
SMILES
OC1=C(O)C=C(C=C1)C(=O)C[NH+]1CC[NH+](CC(=O)NC2=CC=CC=C2Cl)CC1
InChIKey
InChIKey=CTMFYYYUFILNIK-UHFFFAOYSA-P
Formula
C20H24ClN3O4
Mass
405.88
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 acid amides N-piperazineacetamides Anilides Aryl alkyl ketones Benzoyl derivatives Catechols N-arylamides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Chlorobenzenes N-alkylpiperazines Aryl chlorides Quaternary ammonium salts Alpha-amino ketones Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-piperazineacetamide - Anilide - Benzoyl - Catechol - N-arylamide - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Phenol - N-alkylpiperazine - Piperazine - Benzenoid - Aryl chloride - 1,4-diazinane - Aryl halide - Monocyclic benzene moiety - Quaternary ammonium salt - Alpha-aminoketone - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organohalogen compound - Organic cation - Aromatic heteromonocyclic 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