Compound Identification
SMILES
CC1=C(N=C(S1)N1C[C@H](CC1=O)C(=O)OCC(=O)C1=CC=C(Br)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=QBKGNQMYLFCJEK-KRWDZBQOSA-N
Formula
C23H19BrN2O4S
Mass
499.38
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
Pyrrolidine carboxylic acids Oxoprolines 2,4,5-trisubstituted thiazoles Aryl alkyl ketones Benzoyl derivatives Alpha-acyloxy ketones Bromobenzenes Pyrrolidine-2-ones Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Oxoproline - Pyrrolidine carboxylic acid - Aryl alkyl ketone - Pyrrolidine carboxylic acid or derivatives - Bromobenzene - Halobenzene - Alpha-acyloxy ketone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Thiazole - Tertiary carboxylic acid amide - Azole - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organobromide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - 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