Compound Identification
SMILES
I.ClC1=CC=C(C=C1)N1CCN(CCC(=O)C2=CC=C(NC3=NCCN3)C=C2)CC1
InChIKey
InChIKey=INJCMYWUPRUZON-UHFFFAOYSA-N
Formula
C22H27ClIN5O
Mass
539.85
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
N-arylpiperazines Phenylpiperazines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines N-alkylpiperazines Chlorobenzenes Beta-amino ketones Aryl chlorides Imidazolines Guanidines Trialkylamines Azacyclic compounds Carboximidamides Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Chlorobenzene - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - 1,4-diazinane - Piperazine - Benzenoid - 2-imidazoline - Tertiary aliphatic amine - Tertiary amine - Guanidine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Carboximidamide - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen 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