Structure Information
Structure

Compound Identification

SMILES

CCCN(CC1=CC2=C(C=C1)N(CC#N)C1=CC=CC=C1CC2)C1=C(C=CC=N1)C(=O)OCC

InChIKey

InChIKey=KWYCIGPBJFVCFM-UHFFFAOYSA-N

Formula

C28H30N4O2

Mass

454.574

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzazepines

Subclass

Dibenzazepines

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzazepines

Alternative Parents

2-benzylaminopyridines Alkyldiarylamines Pyridinecarboxylic acids Dialkylarylamines Aminopyridines and derivatives Azepines Imidolactams Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Amino acids and derivatives Alpha-aminonitriles Azacyclic compounds Organic oxides Organooxygen compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzazepine - 2-benzylaminopyridine - Alkyldiarylamine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Azepine - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous amide - Alpha-aminonitrile - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - 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

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