Compound Identification
SMILES
Cl.CN1CCC2=C(Cl)C=CC3=C2C(C1)=C(O3)C(O)CC1=NC2=CC=CC=C2S1
InChIKey
InChIKey=VHLXOMAEEAJUTI-UHFFFAOYSA-N
Formula
C21H20Cl2N2O2S
Mass
435.36
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
Benzofurans Benzothiazoles Aralkylamines Azepines Aryl chlorides Benzenoids Thiazoles Furans Heteroaromatic compounds Secondary alcohols Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrochlorides Organochlorides Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - Benzofuran - 1,3-benzothiazole - Azepine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Furan - Thiazole - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Azacycle - Oxacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic alcohol - Alcohol - Amine - Hydrochloride - 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