Structure Information
Structure

Compound Identification

SMILES

CC1=CN=CN1C[C@@H]1CN(CCS1(=O)=O)C(=O)[C@H]1CN(CCN1C(=O)OC(C)(C)C)C1C2=C(CCC3=CC(Br)=CN=C13)C=C(Cl)C=C2

InChIKey

InChIKey=LEDWJNBCZANHFR-VOBZMJECSA-N

Formula

C33H40BrClN6O5S

Mass

748.13

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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 - 1,4-diazinane - Aryl bromide - Aryl chloride - N-substituted imidazole - Benzenoid - Aryl halide - 1,4-thiazinane - Piperazine - Pyridine - Imidazole - Heteroaromatic compound - Azole - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfone - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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