Compound Identification
SMILES
COCCNC(=O)C1=CC=C(CN2C(=O)C3=C(C=CC(Br)=C3)N=C2SCC(=O)C2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=UYMOQKNQUOUXKH-UHFFFAOYSA-N
Formula
C27H23BrFN3O4S
Mass
584.46
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
Quinazolines Benzamides Aryl alkyl ketones Benzoyl derivatives Pyrimidones Alkylarylthioethers Fluorobenzenes Aryl bromides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Quinazoline - Benzamide - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Aryl alkyl ketone - Halobenzene - Fluorobenzene - Pyrimidone - Alkylarylthioether - Aryl bromide - Aryl fluoride - Pyrimidine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Dialkyl ether - Ether - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organofluoride - Organobromide - 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