Compound Identification
SMILES
CN1C(N)=[N+](CC(=O)C2=CC(Br)=CC=C2)C=C1C1=CC=C(F)C=C1
InChIKey
InChIKey=LMFJSHBVPAPOEJ-UHFFFAOYSA-O
Formula
C18H16BrFN3O
Mass
389.248
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
Phenylimidazoles 1,2,4-trisubstituted imidazoles 1,2,5-trisubstituted imidazoles Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Fluorobenzenes Aminoimidazoles Aryl bromides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organic oxides Primary amines Organofluorides Organobromides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 5-phenylimidazole - 4-phenylimidazole - 1,2,4-trisubstituted-imidazole - 1,2,5-trisubstituted-imidazole - Aryl alkyl ketone - Benzoyl - Trisubstituted imidazole - Halobenzene - Fluorobenzene - Bromobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Aryl bromide - Aminoimidazole - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Organoheterocyclic compound - Azacycle - Organofluoride - Organonitrogen compound - Primary amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Amine - Organohalogen compound - Organic cation - 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