Compound Identification
SMILES
OC(=O)CCCCC=C1C2=C(NC(=O)C3=C1C=NC=C3)C=CC(Br)=C2
InChIKey
InChIKey=IXMQYPNYDOEBPG-UHFFFAOYSA-N
Formula
C19H17BrN2O3
Mass
401.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzazepines
Alternative Parents
Pyridinecarboxylic acids and derivatives Medium-chain fatty acids Azepines Heterocyclic fatty acids Halogenated fatty acids Aryl bromides Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Pyridine carboxylic acid or derivatives - Medium-chain fatty acid - Azepine - Halogenated fatty acid - Heterocyclic fatty acid - Aryl bromide - Aryl halide - Fatty acyl - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
External Descriptors
Not available