Compound Identification
SMILES
[Na+].CCCOC1=C(OC)C=C2C(C[CH-][C@@H]3CC(=CN3C2=O)C2=CC=C(C)C=C2)=C1
InChIKey
InChIKey=XNTIDPRKKNYMIL-VEIFNGETSA-N
Formula
C24H26NNaO3
Mass
399.466
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
Phenylpyrrolines Anisoles Toluenes Azepines Alkyl aryl ethers Tertiary carboxylic acid amides Pyrroles Tertiary amines Lactams Amino acids and derivatives Azacyclic compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazepine - 3-phenylpyrroline - Anisole - Phenol ether - Alkyl aryl ether - Azepine - Toluene - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrroline - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Azacycle - Ether - Carboxylic acid derivative - Organic alkali metal salt - Organooxygen compound - Organonitrogen compound - Organic salt - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic sodium salt - Organic oxygen compound - Organic cation - 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