Compound Identification
SMILES
CC(NC1=C(NCC2=C(Cl)C=C(C=C2)C#N)C(=O)C1=O)C(C)(C)C
InChIKey
InChIKey=PXLDNLZVMWWMEK-UHFFFAOYSA-N
Formula
C18H20ClN3O2
Mass
345.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines Benzonitriles Secondary alkylarylamines Chlorobenzenes Aralkylamines Aryl chlorides Vinylogous amides Cyclic ketones Nitriles Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Benzonitrile - Benzylamine - Phenylmethylamine - Chlorobenzene - Aralkylamine - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Vinylogous amide - Cyclic ketone - Nitrile - Carbonitrile - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available