Structure Information
Structure

Compound Identification

SMILES

CNC1=CC=C(OCC2COC(CCC3=CC=C(Cl)C=C3)(CN3C=CN=C3)O2)C=C1

InChIKey

InChIKey=KSRJBHKQGOTHFI-UHFFFAOYSA-N

Formula

C23H26ClN3O3

Mass

427.93

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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 - Aminophenyl ether - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Phenylalkylamine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Ketal - Aryl chloride - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Azole - Meta-dioxolane - Imidazole - Secondary amine - Azacycle - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - 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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