Compound Identification
SMILES
ClC1=CC=C(C=C1)C(=O)C=CN1C2CC(C#N)C1C(=O)C1=CC=CC=C21
InChIKey
InChIKey=PADBAQUCVWUBIV-UHFFFAOYSA-N
Formula
C21H15ClN2O2
Mass
362.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Tetrahydroisoquinolines Aryl alkyl ketones Benzoyl derivatives Aralkylamines Chlorobenzenes Aryl chlorides Acryloyl compounds Vinylogous amides Pyrrolidines Enones Trialkylamines Azacyclic compounds Allylamines Enamines Nitriles Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Tetrahydroisoquinoline - Benzoyl - Aryl alkyl ketone - Aryl ketone - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Pyrrolidine - Vinylogous amide - Alpha,beta-unsaturated ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Allylamine - Enamine - Nitrile - Carbonitrile - Azacycle - Organic oxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organic oxide - Cyanide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available