Compound Identification
SMILES
CC1=C(Cl)C=C(NC(=O)N2CCC3=C(NC4=CC=CC=C34)C2C2=CN=CC=C2)C=C1
InChIKey
InChIKey=YQYNIDKUYCXLPU-UHFFFAOYSA-N
Formula
C24H21ClN4O
Mass
416.91
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 Toluenes Chlorobenzenes Aryl chlorides Pyridines and derivatives Pyrroles Heteroaromatic compounds Tertiary amines Ureas Azacyclic compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - N-phenylurea - 3-alkylindole - Indole - Indole or derivatives - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Pyrrole - Heteroaromatic compound - Urea - Tertiary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organochloride - 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