Compound Identification
SMILES
CCN1CCC[C@@H]1CN\C=C1\C(=O)N(C(=O)C2=CC=CC=C12)C1=C(C)C=CC(C)=C1
InChIKey
InChIKey=KOJJHCFJIIRFQB-NDWLXSOOSA-N
Formula
C25H29N3O2
Mass
403.526
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
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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 p-Xylenes N-substituted carboxylic acid imides N-alkylpyrrolidines Vinylogous amides Dicarboximides Trialkylamines Amino acids and derivatives Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - P-xylene - Xylene - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Vinylogous amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Carboxylic acid derivative - Enamine - Secondary aliphatic amine - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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