Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)C(O)CCN1CCN(CC1)C1=CC=CC=C1
InChIKey
InChIKey=YANJLMVKRKFQGE-UHFFFAOYSA-N
Formula
C21H26N2O3
Mass
354.45
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 Butyrophenones Phenylbutylamines Aniline and substituted anilines Anisoles Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Methoxybenzenes Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Gamma-amino ketones Acyloins Monosaccharides 1,3-aminoalcohols Alpha-hydroxy ketones Trialkylamines Secondary alcohols Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - Phenylpiperazine - Butyrophenone - Phenylbutylamine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenol ether - Aryl alkyl ketone - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - N-alkylpiperazine - Acyloin - Monocyclic benzene moiety - 1,4-diazinane - Gamma-aminoketone - Monosaccharide - Benzenoid - Piperazine - Alpha-hydroxy ketone - 1,3-aminoalcohol - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Amine - 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