Compound Identification
SMILES
CC(=O)C1=CC(Cl)=C(C=C1)C(=O)N1CC2=CC=CN2CC2=CC=CC=C12
InChIKey
InChIKey=GATZRWSXCKUPBW-UHFFFAOYSA-N
Formula
C21H17ClN2O2
Mass
364.83
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
1,4-benzodiazepines 2-halobenzoic acids and derivatives Acetophenones Benzamides Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 1,4-benzodiazepine - Benzodiazepine - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Acetophenone - Benzamide - Benzoic acid or derivatives - Aryl alkyl ketone - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organohalogen compound - Organochloride - 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