Compound Identification
SMILES
ClC1=CC2=C(OC(N3N=C(CC23)C2=CC=CC=C2)C(=O)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=WVBGAIOARMSIFR-UHFFFAOYSA-N
Formula
C23H16BrClN2O2
Mass
467.75
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
Benzoxazines Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Aryl chlorides Pyrazolines Oxacyclic compounds Azacyclic compounds Hydrazones Organobromides Aldehydes Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoxazine - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazoline - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrazone - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - 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