Compound Identification
SMILES
CN1N(C(=O)C(N\C=C2\C(=O)N(C3=CC=C(Cl)C=C3)C(=O)C3=CC=CC=C23)=C1C)C1=CC=CC=C1
InChIKey
InChIKey=FWABCLVQNGLZNR-XQNSMLJCSA-N
Formula
C27H21ClN4O3
Mass
484.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Phenylpyrazoles Tetrahydroisoquinolines Chlorobenzenes Secondary alkylarylamines N-substituted carboxylic acid imides Aryl chlorides Pyrazolones Vinylogous amides Heteroaromatic compounds Dicarboximides Lactams Amino acids and derivatives Enamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Phenylpyrazole - Tetrahydroisoquinoline - Halobenzene - Chlorobenzene - Secondary aliphatic/aromatic amine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrazolinone - Aryl chloride - Pyrazole - Carboxylic acid imide - Dicarboximide - Vinylogous amide - Azole - Heteroaromatic compound - Lactam - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Enamine - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available