Compound Identification
SMILES
CC1CCC2=C(C1)SC(NC(=O)CN1CCN(CC1)C1=CC=C(C=C1)C(C)=O)=C2C#N
InChIKey
InChIKey=FZQQXTLVOLBRFL-UHFFFAOYSA-N
Formula
C24H28N4O2S
Mass
436.57
Taxonomic Classification
Taxonomy Tree
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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 Alpha amino acid amides N-arylpiperazines N-piperazineacetamides Acetophenones N-arylamides Aniline and substituted anilines Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones N-alkylpiperazines Thiophenes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid amide - Phenylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Acetophenone - Tertiary aliphatic/aromatic amine - N-arylamide - Aryl alkyl ketone - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Benzenoid - Piperazine - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - 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