Compound Identification
SMILES
CCCCOC1(OCCCC)N=C(N)C2(C#N)C(C3=CC=C(Cl)C=C3)C12C#N
InChIKey
InChIKey=GGHJYDHYLNADHX-UHFFFAOYSA-N
Formula
C21H25ClN4O2
Mass
400.91
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
Tetrahydropyridines Imidolactams Aryl chlorides Pyrrolines Orthocarboxylic acid derivatives Propargyl-type 1,3-dipolar organic compounds Nitriles Carboximidamides Carboxamidines Azacyclic compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chlorobenzene - Tetrahydropyridine - Aryl chloride - Aryl halide - Imidolactam - Pyrroline - Orthocarboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amidine - Carboxylic acid amidine - Carbonitrile - Nitrile - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - 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