Compound Identification
SMILES
CC(=O)NCCC1=CN(N=O)C2=C1C=C(Br)C=C2
InChIKey
InChIKey=IVUBCYDEGCNGOK-UHFFFAOYSA-N
Formula
C12H12BrN3O2
Mass
310.151
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Carboxylic acid derivatives
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Level 5
Carboxylic acid amides
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Level 6
Acetamides
- Level 7 N-acetyl-2-arylethylamines
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Level 6
Acetamides
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Level 5
Carboxylic acid amides
-
Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides - Acetamides
Direct Parent
N-acetyl-2-arylethylamines
Alternative Parents
3-alkylindoles Substituted pyrroles Benzenoids Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Organic nitrosamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acetyl-2-arylethylamine - 3-alkylindole - Indole - Indole or derivatives - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Organic n-nitroso compound - Organic nitrosamine - Secondary carboxylic acid amide - Organic nitroso compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-acetyl-2-arylethylamines. These are compounds containing an acetamide group that is N-linked to an arylethylamine.
External Descriptors
Not available