Compound Identification
SMILES
O[C@@H](CC1=CC(Cl)=CC=C1)C=C[C@H]1CCC(=O)N1CCCCCCC#N
InChIKey
InChIKey=LUIPFJDZYFEZSA-VQTJNVASSA-N
Formula
C21H27ClN2O2
Mass
374.91
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
-
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
Pyrrolidine-2-ones N-alkylpyrrolidines Aryl chlorides Tertiary carboxylic acid amides Secondary alcohols Lactams Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorobenzene - Aryl chloride - Aryl halide - Pyrrolidone - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary alcohol - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Cyanide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - 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