Compound Identification
SMILES
CC1=NN=C(N1C1=CC=C(Cl)C=C1)N1CCC(CC1)N1C(N)=NC2=CC=CC=C12
InChIKey
InChIKey=KJIXUNXFPKSFTE-UHFFFAOYSA-N
Formula
C21H22ClN7
Mass
407.91
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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Subclass
Triazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Benzimidazoles Dialkylarylamines Chlorobenzenes Piperidines N-substituted imidazoles Aryl chlorides Aminoimidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Benzimidazole - Dialkylarylamine - Chlorobenzene - Halobenzene - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Benzenoid - Imidazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available