Compound Identification
SMILES
OC1=CC=C(C=C1)C1CNCCC2=C(I)C(O)=C(O)C=C12
InChIKey
InChIKey=CIEGSBJGXDAFQX-UHFFFAOYSA-N
Formula
C16H16INO3
Mass
397.212
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
O-iodophenols M-iodophenols Azepines Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Aryl iodides Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - 3-iodophenol - 2-iodophenol - 1-hydroxy-2-unsubstituted benzenoid - Azepine - Aralkylamine - Phenol - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Azacycle - Secondary aliphatic amine - Secondary amine - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organoiodide - Organonitrogen 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