Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OC(C)C)C=CC(=C1)[C@H](N(N)C1=CC2=C(C=C1)C=NC=C2)C(=O)NCC1=CC=CC=C1C(F)(F)F

InChIKey

InChIKey=MKCJBVGKVCDWNN-NDEPHWFRSA-N

Formula

C30H31F3N4O3

Mass

552.598

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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

Alpha-amino acid or derivatives - Trifluoromethylbenzene - Isoquinoline - Phenylacetamide - Phenoxy compound - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Alkylhydrazine - Carboxylic acid derivative - Ether - Azacycle - Organohalogen compound - Hydrocarbon derivative - Hydrazine derivative - Alkyl halide - Alkyl fluoride - Organic oxide - Carbonyl group - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - 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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