Structure Information
Structure

Compound Identification

SMILES

ClC1=CC2=C(C=C1)C(N1CCN([C@H](C1)C(=O)N(CCCC1=CN=CN1)CC1=CC=CC=C1)C(=O)OC1CCCCC1)C1=NC=C(Br)C=C1CC2

InChIKey

InChIKey=PHMNKHXOCLDNLV-BNWGQQNKSA-N

Formula

C39H44BrClN6O3

Mass

760.17

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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 - Alpha-amino acid or derivatives - Piperazine-2-carboxamide - Piperazine-1-carboxylic acid - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,4-diazinane - Piperazine - Pyridine - Azole - Heteroaromatic compound - Carbamic acid ester - Imidazole - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organohalogen compound - Carbonyl group - Organochloride - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organobromide - 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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