Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.C1CC2=C\C(C=CC2=[NH+]C2=CC=CC=C12)=C(/C1=CC=CS1)C1=CC2=C(NC3=CC=CC=C3CC2)C=C1
InChIKey
InChIKey=XUUATXFHGWKSSB-AIZXEQHCSA-N
Formula
C35H27F3N2O2S
Mass
596.67
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzazepines
- Subclass Dibenzazepines
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Class
Benzazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Dibenzazepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzazepines
Alternative Parents
Azepines Benzenoids Primary aromatic amines Alpha-halocarboxylic acids Thiophenes Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Secondary amines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organic zwitterions Organofluorides
Molecular Framework
Not available
Substituents
Dibenzazepine - Azepine - Benzenoid - Primary aromatic amine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Thiophene - Carboxylic acid salt - Carboxylic acid derivative - Azacycle - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available