Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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