Compound Identification
SMILES
CC(CC(=O)NC1=CC=CC2=C1CCCC2)=NNC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=RYQNBVKBXCTRHJ-UHFFFAOYSA-N
Formula
C21H22BrN3O2
Mass
428.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
4-halobenzoic acids and derivatives N-arylamides Benzoyl derivatives Bromobenzenes Fatty amides Aryl bromides Secondary carboxylic acid amides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Tetralin - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - N-arylamide - Bromobenzene - Halobenzene - Fatty acyl - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Fatty amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organobromide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available