Structure Information
Structure

Compound Identification

SMILES

CCC1=CC(CNC[C@H](O)[C@H](CC2=CC(F)=CC(F)=C2)NC(=O)C2=NNC3=C(C=CC=C3Cl)C2=O)=CC=C1

InChIKey

InChIKey=IKBVMFLNRAKBOO-ZEQRLZLVSA-N

Formula

C28H27ClF2N4O3

Mass

541.0

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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 heteropolycyclic compounds

Substituents

Phenylbutylamine - Amphetamine or derivatives - Cinnoline - 2-heteroaryl carboxamide - Benzylamine - Phenylmethylamine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyridazine - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary amine - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Azacycle - Organooxygen compound - Alcohol - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Amine - Organonitrogen compound - Aromatic heteropolycyclic 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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