Compound Identification
SMILES
C[C@@H]1CC=C2[C@H](C1)[C@@H](C1=CC=CC=C1Cl)C(C#N)=C(N)C2(C#N)C#N
InChIKey
InChIKey=LTBLKVQJWVATAB-UVBSCNOISA-N
Formula
C20H17ClN4
Mass
348.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
- Subclass Sesquiterpenoids
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Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Prenol lipids
Subclass
Sesquiterpenoids
Intermediate Tree Nodes
Not available
Direct Parent
Sesquiterpenoids
Alternative Parents
Chlorobenzenes Aryl chlorides Nitriles Enamines Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cadinane sesquiterpenoid - Sesquiterpenoid - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organohalogen compound - Primary aliphatic amine - Organochloride - Amine - Organonitrogen compound - Primary amine - Organic nitrogen compound - Cyanide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
External Descriptors
Not available