Compound Identification
SMILES
CCC(CC)N1C(CC)=NC2=C(C=CN=C12)C1=C(Cl)C=C(C=C1)C(C)=O
InChIKey
InChIKey=BNHQAXGGNKTLLG-UHFFFAOYSA-N
Formula
C21H24ClN3O
Mass
369.89
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
-
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
Phenylpyridines Imidazopyridines Acetophenones Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - 4-phenylpyridine - Acetophenone - Imidazopyridine - Benzoyl - Aryl alkyl ketone - Halobenzene - Chlorobenzene - Aryl chloride - N-substituted imidazole - Aryl halide - Benzenoid - Pyridine - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - 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