Compound Identification
SMILES
[Br-].ClC1=CC(Cl)=C(C=C1)C(=O)C[N+]12CN3CN(CN(C3)C1)C2
InChIKey
InChIKey=JOBAZAXTJCUNON-UHFFFAOYSA-M
Formula
C14H17BrCl2N4O
Mass
408.12
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
-
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
Dichlorobenzenes Benzoyl derivatives Aryl alkyl ketones Aryl chlorides 1,3,5-triazinanes Vinylogous halides Tetraalkylammonium salts Azacyclic compounds Aminals Organochlorides Organic oxides Organic bromide salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - 1,3-dichlorobenzene - Aryl alkyl ketone - Chlorobenzene - Halobenzene - 1,3,5-triazinane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Triazinane - Benzenoid - Tetraalkylammonium salt - Vinylogous halide - Quaternary ammonium salt - Aminal - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic bromide salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Amine - Organic salt - Organic cation - 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