Compound Identification
SMILES
CC(=O)C1=C(OCC(O)CN2CCN(CC2)C2=CC=CC=C2)C=CC(Br)=C1
InChIKey
InChIKey=JTLCDLCQBTWCAT-UHFFFAOYSA-N
Formula
C21H25BrN2O3
Mass
433.346
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 Phenoxy compounds Phenol ethers Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers N-alkylpiperazines Bromobenzenes Aryl bromides 1,2-aminoalcohols Secondary alcohols Trialkylamines Azacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Acetophenone - Benzoyl - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - N-alkylpiperazine - Halobenzene - Alkyl aryl ether - Aryl bromide - Benzenoid - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - 1,2-aminoalcohol - Secondary alcohol - Tertiary amine - Ether - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Alcohol - Amine - 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