Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(=C1)C(=O)NC1=C(N=CC(=C1)C(=O)NC1CC1)N1CCC(CC(=O)N2CCCNCC2)CC1

InChIKey

InChIKey=HZRIALVBRQTAJD-UHFFFAOYSA-N

Formula

C28H35ClN6O3

Mass

539.08

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

3-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3-halobenzoic acid or derivatives - Benzamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Nicotinamide - Dialkylarylamine - Benzoyl - Diazepane - Halobenzene - 1,4-diazepane - Aminopyridine - Chlorobenzene - Imidolactam - Aryl halide - Pyridine - Piperidine - Aryl chloride - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.

External Descriptors

Not available

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