Compound Identification
SMILES
C[C@H]1C[C@H](N(C1)C1=C(Cl)C=CC(=C1)C1=CC=CC=C1)C(=O)NCC#N
InChIKey
InChIKey=IMMNDIYCAYIZRS-LIRRHRJNSA-N
Formula
C20H20ClN3O
Mass
353.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Chlorinated biphenyls
-
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
Proline and derivatives Alpha amino acid amides Phenylpyrrolidines Pyrrolidinecarboxamides Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Pyrroles Secondary carboxylic acid amides Nitriles Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Chlorinated biphenyl - Proline or derivatives - Alpha-amino acid amide - 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Pyrrole - Pyrrolidine - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Carbonitrile - Nitrile - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Cyanide - 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