Compound Identification
SMILES
CC(=O)C1=CC(NC(=O)N2CCCN2C(=O)C2=CC=C(Br)C=C2)=CC=C1
InChIKey
InChIKey=AFGABLXDITWLJB-UHFFFAOYSA-N
Formula
C19H18BrN3O3
Mass
416.275
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
N-phenylureas 4-halobenzoic acids and derivatives Acetophenones Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Semicarbazides Pyrazolidines Carboxylic acid hydrazides Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-phenylurea - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Acetophenone - Benzoic acid or derivatives - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazolidine - Semicarbazide - Carboxylic acid hydrazide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organobromide - Organonitrogen compound - 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