Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C1OC2=C(C=C(Br)C=C2)C2CC(=NN12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PWOYLXVTYNSMGG-UHFFFAOYSA-N
Formula
C24H18BrClN2O3
Mass
497.77
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 Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl bromides Aryl chlorides Pyrazolines Oxacyclic compounds Azacyclic compounds Hydrazones Organic oxides Organobromides Organochlorides Aldehydes Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoxazine - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Anisole - Chlorobenzene - Alkyl aryl ether - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aryl bromide - Benzenoid - Pyrazoline - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Hydrazone - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aldehyde - Hydrocarbon derivative - Organochloride - 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