Compound Identification
SMILES
CC(C)(C)CN1CCN(CC2=CN=C(N=C2)C2=CC=C(Cl)C=C2)CC1CCO
InChIKey
InChIKey=UYRROJFNQPSPQD-UHFFFAOYSA-N
Formula
C22H31ClN4O
Mass
402.97
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
N-alkylpiperazines Aralkylamines Pyrimidines and pyrimidine derivatives Aryl chlorides Heteroaromatic compounds 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyrimidine - 1,3-aminoalcohol - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Primary alcohol - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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