Structure Information
Structure

Compound Identification

SMILES

CCN1C=NC=C1CCN(CC1CC1)C(=O)[C@H]1CN(CCN1C(=O)OC(C)(C)C)[C@@H]1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2

InChIKey

InChIKey=NJKUBSQCQLPAOA-XLJNKUFUSA-N

Formula

C35H45ClN6O3

Mass

633.23

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