Compound Identification
SMILES
CC(C)CC1C(C(C(=O)C2=CC=CC=C2)C2(N1C(=O)NC1=C(C=CC=C1C(C)C)C(C)C)C(=O)NC1=C2C=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=DJUFZZQWGAICSG-UHFFFAOYSA-N
Formula
C41H44BrN3O3
Mass
706.725
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
Phenylpyrrolidines Alpha amino acids and derivatives N-phenylureas Cumenes Indolines Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Pyrrolidinecarboxamides Aryl bromides Pyrroles Secondary carboxylic acid amides Lactams Ureas Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - N-phenylurea - Cumene - Indole or derivatives - Dihydroindole - Phenylpropane - Aryl alkyl ketone - Pyrrolidine-1-carboxamide - Pyrrolidine carboxylic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Pyrrolidine - Pyrrole - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - 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