Compound Identification
SMILES
COC(C1=CN=CN1C)(C1=CC=C(C=C1)C#N)C1=C(C=C(C#N)C(Cl)=N1)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=VQFKXIRILMVOJG-UHFFFAOYSA-N
Formula
C25H17Cl2N5O
Mass
474.35
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
Phenylpyridines Benzylethers Benzonitriles 3-pyridinecarbonitriles Chlorobenzenes 2-halopyridines N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Nitriles Dialkyl ethers Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Sesquiterpenoid - Bisabolane sesquiterpenoid - 3-phenylpyridine - Benzylether - Benzonitrile - 3-pyridinecarbonitrile - 2-halopyridine - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Aryl halide - Pyridine - Aryl chloride - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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