Compound Identification
SMILES
CC(=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC(CCC2=CC=C(Cl)C=C2)CN2C=CN=C2)C=C1
InChIKey
InChIKey=DKKWAMKRRODTRI-UHFFFAOYSA-N
Formula
C31H33ClN4O2
Mass
529.08
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
Phenylpiperazines N-arylpiperazines Phenylbutylamines Acetophenones Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Chlorobenzenes Alkyl aryl ethers Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Phenylbutylamine - Acetophenone - Aminophenyl ether - Benzoyl - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Alkyl aryl ether - Piperazine - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - 1,4-diazinane - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - 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