Compound Identification
SMILES
Cl.Cl.CC(=O)OC(COC1=CC=CC=C1C(C)=O)CN1CCN(CC1)C1=C(C)C=C(C)C=C1
InChIKey
InChIKey=GDGHUKIIRSLWAL-UHFFFAOYSA-N
Formula
C25H34Cl2N2O4
Mass
497.46
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 Acetophenones Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Aniline and substituted anilines m-Xylenes Phenol ethers Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - N-arylpiperazine - Phenylpiperazine - Acetophenone - Tertiary aliphatic/aromatic amine - Phenoxy compound - Aryl alkyl ketone - Dialkylarylamine - Phenol ether - Aniline or substituted anilines - M-xylene - Xylene - Benzoyl - N-alkylpiperazine - Alkyl aryl ether - 1,4-diazinane - Piperazine - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Hydrochloride - Amine - 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