Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)CN1CCN(CC1)C1=NC(=O)C(O1)C1=CC=CC=C1
InChIKey
InChIKey=NNIZTMSDRSRDKW-UHFFFAOYSA-N
Formula
C21H20BrN3O3
Mass
442.313
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
Aryl alkyl ketones Benzoyl derivatives N-alkylpiperazines Bromobenzenes Aryl bromides Alpha-amino ketones Oxazolines Trialkylamines Amino acids and derivatives N-acylimines Isoureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - N-alkylpiperazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Alpha-aminoketone - Oxazoline - N-acylimine - Tertiary aliphatic amine - Tertiary amine - Isourea - Amino acid or derivatives - Azacycle - Carboximidamide - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen 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