Compound Identification
SMILES
O=C1N(CCC2=CC=CC=C2)C(=O)C2=CC=CC=C2C1=O
InChIKey
InChIKey=QORWHUYLLGKESS-UHFFFAOYSA-N
Formula
C17H13NO3
Mass
279.295
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,4-isoquinolinediones
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Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,4-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,4-isoquinolinediones
Alternative Parents
1,3-isoquinolinediones Isoquinolones and derivatives Tetrahydroisoquinolines Aryl ketones N-substituted carboxylic acid imides Benzene and substituted derivatives Dicarboximides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - 2,3-dihydroisoquinoline-1,4-dione - Isoquinolone - Tetrahydroisoquinoline - Aryl ketone - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Dicarboximide - Carboxylic acid imide - Ketone - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-isoquinolinediones. These are isoquinoline derivatives carrying a C=O group at positions 1 and 4, respectively.
External Descriptors
Not available