Structure Information
Structure

Compound Identification

SMILES

ClC1=CC2=C(C=C1)C(N1CCN(CC1)C(=O)NC1=CC=C(C=C1)C#N)C1=C(C=CC=N1)C=C2CN1CCOCC1

InChIKey

InChIKey=VZDMVXIBOXVRGQ-UHFFFAOYSA-N

Formula

C31H31ClN6O2

Mass

555.08

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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 - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Morpholine - Oxazinane - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Dialkyl ether - Nitrile - Carbonitrile - Ether - Organic oxygen compound - Amine - Cyanide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxide - 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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