Structure Information
Structure

Compound Identification

SMILES

CC1=C(C)C=C(CC2CN(CC#CCN3CCOCC3)CCN2C(=O)C2=CC(Cl)=CC(Cl)=C2)C=C1

InChIKey

InChIKey=PFPLTLPJFASKHQ-UHFFFAOYSA-N

Formula

C28H33Cl2N3O2

Mass

514.49

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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 - 1,3-dichlorobenzene - Benzoyl - O-xylene - Xylene - Halobenzene - N-alkylpiperazine - Chlorobenzene - Aralkylamine - Morpholine - Aryl chloride - Piperazine - Oxazinane - 1,4-diazinane - Aryl halide - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - 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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