Structure Information
Structure

Compound Identification

SMILES

CCNCCOC1=CC=CC=C1C(C)(C)NC1=NC=CN(C1=O)C1=C(Cl)C=CC(=C1)C(=O)NC1CC1

InChIKey

InChIKey=NXBCQDDDEBAIAN-UHFFFAOYSA-N

Formula

C27H32ClN5O3

Mass

510.04

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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

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Phenylpropane - Benzoyl - Phenol ether - Phenoxy compound - Aminopyrazine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Imidolactam - Aryl chloride - Aryl halide - Pyrazine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Azacycle - Carboxylic acid derivative - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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