Structure Information
Structure

Compound Identification

SMILES

CN1CC(=C)C2=CC(NC3=CC4=CC(=C(F)C(NC(=O)OC(C)(C)C)=C4C=N3)C3=CN=CC(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)=C3C)=NN2CS1(=O)=O

InChIKey

InChIKey=NSGAVVGTBUTENA-UHFFFAOYSA-N

Formula

C38H47FN8O8S

Mass

794.9

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolines and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoquinoline - Methylpyridine - Aminopyridine - Imidolactam - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Pyridine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Carbamic acid ester - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazole - Azole - Carbonic acid derivative - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.

External Descriptors

Not available

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