Structure Information
Structure

Compound Identification

SMILES

[Na].ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1.CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC(O)=O)CC1)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1

InChIKey

InChIKey=FJCUNNFGRODSGV-ZPQUALOVSA-N

Formula

C54H55Cl2N3NaO3S

Mass

920.0

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzocycloheptapyridines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzocycloheptapyridines

Alternative Parents

Molecular Framework

Not available

Substituents

Linear 1,3-diarylpropanoid - Benzocycloheptapyridine - Chloroquinoline - Haloquinoline - Quinoline - Phenylpropane - Styrene - Hydroxy fatty acid - Thia fatty acid - Aryl halide - Fatty acyl - Piperidine - Benzenoid - Aryl chloride - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Dialkylthioether - Sulfenyl compound - Secondary amine - Thioether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic alcohol - Alcohol - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.

External Descriptors

Not available

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