Compound Identification
SMILES
CCO.CN1C2CCC1[C@H]1[C@H](C3=CC=C(Cl)C=C3)C(C#N)(C#N)C(N)=C(C#N)C1=C2
InChIKey
InChIKey=IABFZHKAQACEGJ-BHQPTHSHSA-N
Formula
C23H24ClN5O
Mass
421.93
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
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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
Aralkylamines N-alkylpyrrolidines Aryl chlorides Trialkylamines Nitriles Enamines Azacyclic compounds Primary alcohols Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Enamine - Carbonitrile - Azacycle - Organoheterocyclic compound - Nitrile - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary amine - Hydrocarbon derivative - Primary aliphatic amine - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - 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