Compound Identification
SMILES
COC(=O)C1=C(C=CC=C1Cl)C1=CC=C(C=C1)C(C)NC1=NC=CC(C)=C1NC(=O)CC#N
InChIKey
InChIKey=PXEREHXEOPERFF-UHFFFAOYSA-N
Formula
C25H23ClN4O3
Mass
462.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
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Subclass
Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Chlorinated biphenyls
Alternative Parents
2-halobenzoic acids and derivatives Benzoic acid esters N-arylamides Benzoyl derivatives Aminopyridines and derivatives Methylpyridines Chlorobenzenes Aryl chlorides Imidolactams Vinylogous halides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Amines Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorinated biphenyl - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - N-arylamide - Methylpyridine - Chlorobenzene - Aminopyridine - Halobenzene - Imidolactam - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
External Descriptors
Not available