Compound Identification
SMILES
CCC(=O)C1=C(O)C([C@@H]2C[C@@H]2NC(=O)NC2=NC=C(Br)C=C2)=C(F)C=C1
InChIKey
InChIKey=VRAJWAGCJIXJHQ-YPMHNXCESA-N
Formula
C18H17BrFN3O3
Mass
422.254
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 Aryl alkyl ketones Benzoyl derivatives M-fluorophenols Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Imidolactams Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Vinylogous acids Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpropane - Benzoyl - 3-halophenol - 3-fluorophenol - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Monocyclic benzene moiety - Aryl bromide - Aryl fluoride - Pyridine - Benzenoid - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous acid - Carbonic acid derivative - Urea - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen 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