Structure Information
Structure

Compound Identification

SMILES

CC1=CC(O)=C2C(C3CC[N+]([O-])(CC3)C(=O)CC3=CC=NC=C3)C3=NC=C(Br)C=C3CCC2=C1

InChIKey

InChIKey=NMDDVKIFSUZDGR-UHFFFAOYSA-N

Formula

C27H28BrN3O3

Mass

522.443

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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

Aromatic heteropolycyclic compounds

Substituents

Benzocycloheptapyridine - N-acyl-piperidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl bromide - Aryl halide - Piperidine - Benzenoid - Pyridine - Heteroaromatic compound - N-oxide - Carboxylic acid derivative - Azacycle - Trisubstituted n-oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - Organic oxygen compound - 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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