Compound Identification
SMILES
CC(=O)C1=CC(=CC=C1)N1C(=O)\C(=C\C2=CC=C(O2)C2=CC=C(Br)C=C2)C=C1C1=CC=CC=C1
InChIKey
InChIKey=QZTKXNDGRBQPFZ-HAVVHWLPSA-N
Formula
C29H20BrNO3
Mass
510.387
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 Acetophenones Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Furans Tertiary amines Amino acids and derivatives Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 1-phenylpyrroline - 2-phenylpyrroline - Acetophenone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Furan - Heteroaromatic compound - Pyrrole - Pyrroline - Lactam - Carboxamide group - Tertiary amine - Amino acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - 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