Compound Identification
SMILES
CC1=CC(C)=C(C=C1)N1C(=O)C2C3C=CC4=CC=CC=C4N3C(C2C1=O)C(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=KFJGRQMUJKIQAA-UHFFFAOYSA-N
Formula
C29H23BrN2O3
Mass
527.418
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
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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
Hydroquinolones Phenylpyrrolidines Hydroquinolines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines m-Xylenes Bromobenzenes Pyrrolidine-2-ones Aryl bromides N-substituted carboxylic acid imides Dicarboximides Alpha-amino ketones Pyrroles Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Dihydroquinolone - 1-phenylpyrrolidine - Dihydroquinoline - M-xylene - Xylene - Dialkylarylamine - Benzoyl - Aryl alkyl ketone - Tertiary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Aryl bromide - Carboxylic acid imide, n-substituted - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrole - Pyrrolidine - Alpha-aminoketone - Carboxylic acid imide - Amino acid or derivatives - Lactam - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organic oxide - Organohalogen 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