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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Harmala alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Harmala alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Harmala alkaloids
Alternative Parents
Beta carbolines 3-alkylindoles N-phenylureas Fluorobenzenes Chlorobenzenes Pyridines and derivatives Aryl chlorides Aryl fluorides Pyrroles Heteroaromatic compounds Ureas Tertiary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
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