Compound Identification
SMILES
CCC(=O)C1=C(OC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C=CC(Br)=C1
InChIKey
InChIKey=DMTOFJPMUVDACW-UHFFFAOYSA-N
Formula
C25H20BrNO5
Mass
494.341
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
Isoquinolones and derivatives Phenol esters Naphthalenes Phenylpropanes Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Fatty acid esters Aryl bromides N-substituted carboxylic acid imides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Isoquinolone - Naphthalene - Phenol ester - Phenylpropane - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Halobenzene - Fatty acid ester - Bromobenzene - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Fatty acyl - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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