Compound Identification
SMILES
CNCC1=NC(=CO1)C(=O)N1CCN(CC1)C1=CC=C(C=C1)C(C)=O
InChIKey
InChIKey=QHEOIVABYGSRTR-UHFFFAOYSA-N
Formula
C18H22N4O3
Mass
342.399
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 Acetophenones 2-heteroaryl carboxamides Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Aralkylamines 2,4-disubstituted oxazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Acetophenone - 2-heteroaryl carboxamide - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - 2,4-disubstituted 1,3-oxazole - Benzenoid - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Oxazole - Amino acid or derivatives - Tertiary amine - Carboxamide group - Secondary aliphatic amine - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Azacycle - Secondary amine - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen 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