Compound Identification
SMILES
C[C@H]1C[C@@H]1CN1C(C)=C(CO)C2=CN=NC(OCC3=CC=C(Cl)C=C3)=C12
InChIKey
InChIKey=ZPVULROFDJESLQ-SWLSCSKDSA-N
Formula
C20H22ClN3O2
Mass
371.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Chlorobenzenes
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Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Chlorobenzenes
Alternative Parents
Alkyl aryl ethers Substituted pyrroles Pyridazines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Chlorobenzene - Aryl chloride - Aryl halide - Pyridazine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Aromatic alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
External Descriptors
Not available