Compound Identification
SMILES
ClC1=CC=C(C=C1)C1=C2C=CC[C@H]3[C@@H](SC(=C(N23)C1=O)C1=CC=CC=C1)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=OGFSXJYMEDIZKF-MUAVYFROSA-N
Formula
C29H19BrClNO2S
Mass
560.89
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
Phenylpyrrolines Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Chlorobenzenes Vinylogous thioesters 1,4-thiazines Aryl bromides Aryl chlorides Beta-amino ketones Vinylogous amides Pyrroles Trialkylamines Thioenol ethers Azacyclic compounds Enamines Organic oxides Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylpyrroline - Benzoyl - Aryl alkyl ketone - Bromobenzene - Chlorobenzene - Halobenzene - Para-thiazine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Vinylogous thioester - Benzenoid - Vinylogous amide - Pyrroline - Pyrrole - Tertiary aliphatic amine - Thioenolether - Tertiary amine - Organoheterocyclic compound - Azacycle - Enamine - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organochloride - Organic nitrogen compound - 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