Structure Information
Structure

Compound Identification

SMILES

CN1C=NC=C1C(NC(C)=O)C1=CC2=C(N=CC=C2)[C@@H](N2CCN(CC2)C(=O)NC2=CC=C(C=C2)C#N)C2=C1C=C(Cl)C=C2

InChIKey

InChIKey=AHPDIOCFSUKAHZ-JYUUXGOASA-N

Formula

C33H31ClN8O2

Mass

607.12

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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 - Monocyclic benzene moiety - Aryl chloride - Benzenoid - 1,4-diazinane - N-substituted imidazole - Pyridine - Piperazine - Aryl halide - Azole - Heteroaromatic compound - Acetamide - Imidazole - Amino acid or derivatives - Carboxamide group - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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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