Compound Identification
SMILES
OC1=CC=CC=C1C(=O)C1=CN2N=C(C=C2N=C1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=MWKCDJATZVFYNR-UHFFFAOYSA-N
Formula
C19H12BrN3O2
Mass
394.228
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 Aryl-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
Aryl-phenylketones
Alternative Parents
Phenylpyrazoles Pyrazolo[1,5-a]pyrimidines Pyrimidinecarboxylic acids and derivatives Benzoyl derivatives Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Vinylogous amides Heteroaromatic compounds Vinylogous acids Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - Phenylpyrazole - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrimidine-5-carboxylic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Benzenoid - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Azole - Pyrazole - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available