Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.NC1=NC=CC2=C1C=C(OCCNC(=O)C1=CC=C(OC3CCNCC3)C=C1)C=C2

InChIKey

InChIKey=NYUKRNABEJCATN-UHFFFAOYSA-N

Formula

C25H27F3N4O5

Mass

520.509

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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

Not available

Substituents

Isoquinoline - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Aminopyridine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyridine - Piperidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Secondary amine - Organonitrogen compound - Carbonyl group - Primary amine - Alkyl halide - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - 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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