Compound Identification
SMILES
CCN(CC)S(=O)(=O)C1=CC=CC(=C1)N1C(=O)\C(=C/NC2=CC(C)=C(C)C=C2)C2=CC=CC=C2C1=O
InChIKey
InChIKey=OBOSLPTZNMJQLP-ITYLOYPMSA-N
Formula
C28H29N3O4S
Mass
503.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 Benzenesulfonamides Benzenesulfonyl compounds o-Xylenes Aniline and substituted anilines Secondary alkylarylamines Organosulfonamides N-substituted carboxylic acid imides Dicarboximides Vinylogous amides Aminosulfonyl compounds Amino acids and derivatives Enamines Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Benzenesulfonamide - Tetrahydroisoquinoline - Benzenesulfonyl group - O-xylene - Xylene - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Organosulfonic acid amide - Carboxylic acid imide - Dicarboximide - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Amino acid or derivatives - Azacycle - Enamine - Carboxylic acid derivative - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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