Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.CC(=N)N1CCC(CC1)OC1=CC=C(C=C1)C(=O)NCCOC1=CC2=C(C=CN=C2N)C=C1

InChIKey

InChIKey=MBYWZRABRZHADV-UHFFFAOYSA-N

Formula

C27H30F3N5O5

Mass

561.562

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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 - Monocyclic benzene moiety - Imidolactam - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid amidine - Amidine - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboximidamide - Carboxylic acid - Organic oxide - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Alkyl halide - Organic oxygen compound - 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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