Compound Identification
SMILES
Br.CC(C)C(=O)OC1=CC=C(C=C1)C1CNCCC2=C(Cl)C(OC(=O)C(C)C)=C(OC(=O)C(C)C)C=C12
InChIKey
InChIKey=VWTQUIUOGAFLBG-UHFFFAOYSA-N
Formula
C28H35BrClNO6
Mass
596.94
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
Phenol esters Tricarboxylic acids and derivatives Phenoxy compounds Azepines Aralkylamines Aryl chlorides Carboxylic acid esters Amino acids and derivatives Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Hydrobromides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Phenol ester - Tricarboxylic acid or derivatives - Phenoxy compound - Azepine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrobromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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