Compound Identification
SMILES
O=C(CCC[NH+]1CC[NH+](CC1)C1=C2OCCOC2=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=SBYDNCUVUQOIOI-UHFFFAOYSA-P
Formula
C22H28N2O3
Mass
368.476
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 Butyrophenones Phenylbutylamines Benzo-1,4-dioxanes Aryl alkyl ketones Benzoyl derivatives Tertiary alkylarylamines N-alkylpiperazines Alkyl aryl ethers Gamma-amino ketones Para dioxins Quaternary ammonium salts Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - Butyrophenone - Phenylbutylamine - Benzo-1,4-dioxane - Benzodioxane - Benzoyl - Aryl alkyl ketone - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Gamma-aminoketone - Para-dioxin - Piperazine - Benzenoid - Quaternary ammonium salt - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Ether - Azacycle - Oxacycle - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic cation - 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