Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.O=C(NCCC1=CNC2=C1C1=C(C=C2)C(=O)NCC1)C1=CC=NC=C1

InChIKey

InChIKey=JTYGCCKCFIDFPD-UHFFFAOYSA-N

Formula

C21H19F3N4O4

Mass

448.402

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinolones and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolones and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Isoquinolone - Tetrahydroisoquinoline - 3-alkylindole - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Indole - Indole or derivatives - Pyridine - Substituted pyrrole - Benzenoid - Pyrrole - Alpha-halocarboxylic acid - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Secondary carboxylic acid amide - Lactam - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.

External Descriptors

Not available

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