Structure Information
Structure

Compound Identification

SMILES

FC1=C(Cl)C=C(C=C1)C(=O)NC1=NC(COC2=CC=C(CCCCN3C=CN=N3)C=C2)=CS1

InChIKey

InChIKey=HUPFAKLDNQKILF-UHFFFAOYSA-N

Formula

C23H21ClFN5O2S

Mass

485.96

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Phenylbutylamines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylbutylamines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Phenylbutylamine - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Chlorobenzene - Fluorobenzene - Halobenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Aryl halide - Aryl fluoride - Aryl chloride - Azole - Thiazole - 1,2,3-triazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.

External Descriptors

Not available

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