Structure Information
Structure

Compound Identification

SMILES

FC1=C(Cl)C=C(NC(=O)N2CCC3=C(NC4=CC=CC=C34)C2C2=CN=CC=C2)C=C1

InChIKey

InChIKey=CUFMIJPKJGCQGJ-UHFFFAOYSA-N

Formula

C23H18ClFN4O

Mass

420.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Harmala alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Harmala alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Harman - Beta-carboline - Pyridoindole - N-phenylurea - 3-alkylindole - Indole - Indole or derivatives - Chlorobenzene - Fluorobenzene - Halobenzene - Pyridine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Pyrrole - Heteroaromatic compound - Tertiary amine - Urea - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.

External Descriptors

Not available

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