Compound Identification
SMILES
NC(=O)C(F)(F)F.OS(=O)(=O)C1=CC=C(C=C1)C1CNCCC2=C(Br)C3=C(COO3)C=C12
InChIKey
InChIKey=QPLHEQIHIISABY-UHFFFAOYSA-N
Formula
C19H18BrF3N2O6S
Mass
539.32
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
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aralkylamines Azepines Aryl bromides Sulfonyls Organosulfonic acids Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkylamines Organic oxides Alkyl fluorides Organobromides Hydrocarbon derivatives Organofluorides Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzazepine - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Azepine - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Secondary amine - Azacycle - Oxacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organosulfur compound - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organooxygen 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