Structure Information
Structure

Compound Identification

SMILES

NC1(CN(CCO)CC2=CC(C(=O)NCC34CC5CC(CC(C5)C3)C4)=C(Cl)C=C2)CC1

InChIKey

InChIKey=JFSIHDMLTPMZTF-UHFFFAOYSA-N

Formula

C25H36ClN3O2

Mass

446.03

Export to:

JSON SDF CSV

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

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Alkanolamine - Primary aliphatic amine - Alcohol - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Primary alcohol - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

Previous Back Next