Compound Identification
SMILES
CC[NH+]1CCN(CC1)C=C1C(=O)N(C(=O)C2=CC=CC=C12)C1=C(C)C=CC=C1CC
InChIKey
InChIKey=VQGKRDQFSHMSEW-UHFFFAOYSA-O
Formula
C25H30N3O2
Mass
404.533
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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 N-alkylpiperazines Toluenes N-substituted carboxylic acid imides Vinylogous amides Dicarboximides Quaternary ammonium salts Amino acids and derivatives Trialkylamines Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - N-alkylpiperazine - Toluene - Monocyclic benzene moiety - 1,4-diazinane - Carboxylic acid imide, n-substituted - Piperazine - Benzenoid - Carboxylic acid imide - Dicarboximide - Vinylogous amide - Quaternary ammonium salt - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Azacycle - Enamine - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic cation - 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