Structure Information
Structure

Compound Identification

SMILES

CC1=NC=CN1CC1=CC2=C(C=CC(Cl)=C2)[C@@H](N2CCN(CC2)C(=O)NC2=CC=C(C=C2)C#N)C2=NC=C(Br)C=C12

InChIKey

InChIKey=DIESLSSSIZETLT-SSEXGKCCSA-N

Formula

C31H27BrClN7O

Mass

628.96

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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-phenylurea - Piperazine-1-carboxamide - Benzonitrile - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Pyridine - Piperazine - Azole - Heteroaromatic compound - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Nitrile - Carbonitrile - Amine - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen 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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