Compound Identification
SMILES
O=C1N(C(=O)C2=CC=CC=C2\C1=C/NCC1=CC=CC=N1)C1=CC=CC=C1
InChIKey
InChIKey=QAJWZGYXOSFIFG-HMMYKYKNSA-N
Formula
C22H17N3O2
Mass
355.397
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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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 Tetrahydroisoquinolines 2-pyridylmethylamines Aralkylamines Benzene and substituted derivatives N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Vinylogous amides Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - 2-pyridylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Pyridine - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Heteroaromatic compound - Dicarboximide - Vinylogous amide - Amino acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Azacycle - Enamine - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen 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