Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CN1CCC(C2=CC3=C(SC=C3)C=C2)C2=C(C1)C=C(C=C2)C1=NC=CN=C1
InChIKey
InChIKey=RNMDGSDDKJNFFQ-BTJKTKAUSA-N
Formula
C27H25N3O4S
Mass
487.57
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
1-benzothiophenes Azepines Aralkylamines Unsaturated fatty acids Pyrazines Dicarboxylic acids and derivatives Benzenoids Thiophenes Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzazepine - Benzothiophene - 1-benzothiophene - Azepine - Aralkylamine - Dicarboxylic acid or derivatives - Pyrazine - Unsaturated fatty acid - Fatty acyl - Fatty acid - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - 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