Compound Identification
SMILES
CN1C2=C(N(CC3=CC=CC=C3Br)C(=N2)N2CCC[C@@H](N)C2)C(=O)N(CC(=O)C2=CC=CC=C2)C1=O
InChIKey
InChIKey=OWWHPGUQJPBOIB-LJQANCHMSA-N
Formula
C26H27BrN6O3
Mass
551.445
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
Xanthines 6-oxopurines Alkaloids and derivatives Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines Pyrimidones Aminopiperidines Bromobenzenes Aminoimidazoles N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Lactams Ureas Azacyclic compounds Monoalkylamines Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Imidazopyrimidine - Purine - Benzoyl - Dialkylarylamine - Aryl alkyl ketone - 3-aminopiperidine - Bromobenzene - Halobenzene - Pyrimidone - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Benzenoid - Pyrimidine - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Urea - Lactam - Organoheterocyclic compound - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Amine - Primary amine - Primary aliphatic amine - Organic nitrogen compound - Aromatic heteropolycyclic 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