Compound Identification
SMILES
Br.COCCOC1=CC2=C(CN(CC(=O)C3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C2=N)C=C1
InChIKey
InChIKey=IYCSJFVSHSPHPU-UHFFFAOYSA-N
Formula
C27H37BrN2O4
Mass
533.507
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
Phenylpropanes Isoindolines Isoindoles Phenol ethers Aryl alkyl ketones Benzoyl derivatives Phenols Alkyl aryl ethers Imidolactams Azacyclic compounds Dialkyl ethers Carboximidamides Carboxamidines Hydrobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Isoindoline - Isoindole - Isoindole or derivatives - Phenylpropane - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Imidolactam - Benzenoid - Amidine - Carboxylic acid amidine - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Carboximidamide - Organic oxide - Hydrocarbon derivative - Hydrobromide - Organic nitrogen compound - Organonitrogen 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