Compound Identification
SMILES
CCC1N(CCC2=C1NC1=CC=CC=C21)C(=S)NC1=CC(=C(Cl)C=C1)C(F)(F)F
InChIKey
InChIKey=DMGHGIVICQVBDZ-UHFFFAOYSA-N
Formula
C21H19ClF3N3S
Mass
437.91
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 Trifluoromethylbenzenes N-phenylthioureas 3-alkylindoles Chlorobenzenes Aryl chlorides Pyrroles Heteroaromatic compounds Thioureas Azacyclic compounds Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Harman - Beta-carboline - Pyridoindole - Trifluoromethylbenzene - N-phenylthiourea - 3-alkylindole - Indole - Indole or derivatives - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrrole - Heteroaromatic compound - Thiourea - Organoheterocyclic compound - Azacycle - Organosulfur compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - 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