Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)CCCN1CCN(CC1)C1=CC=CC=N1
InChIKey
InChIKey=VSMPBCGTCGWHHQ-UHFFFAOYSA-N
Formula
C22H29N3O4
Mass
399.491
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
Pyridinylpiperazines N-arylpiperazines Phenylbutylamines Butyrophenones Anisoles Phenoxy compounds Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Dialkylarylamines Alkyl aryl ethers N-alkylpiperazines Aminopyridines and derivatives Imidolactams Gamma-amino ketones Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Pyridinylpiperazine - N-arylpiperazine - Butyrophenone - Phenylbutylamine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Dialkylarylamine - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Aminopyridine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Gamma-aminoketone - Imidolactam - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Amine - Hydrocarbon derivative - 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