Compound Identification
SMILES
O.Cl.CCOC(=O)NC1=CC2=C(CCC3=CC=CC=C3N2C(=O)CCN2CCN3CCCC3C2)C=C1
InChIKey
InChIKey=IYCADWWDANXDSS-UHFFFAOYSA-N
Formula
C27H37ClN4O4
Mass
517.07
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
Beta amino acids and derivatives N-alkylpiperazines Azepines N-alkylpyrrolidines Benzenoids Tertiary carboxylic acid amides Carbamate esters Trialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzazepine - Beta amino acid or derivatives - Azepine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Carbamic acid ester - Amino acid or derivatives - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - 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