Compound Identification
SMILES
COC1=C[C@]2(CCN([C@@H](CC3=CC4=C(OCO4)C=C3)C2=CC1=O)C(=O)C(F)(F)F)OC(=O)[C@@H](C)C1=CC=CC=C1
InChIKey
InChIKey=MUSKTEROIADNOF-XJTARGMPSA-N
Formula
C29H26F3NO7
Mass
557.522
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
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
Benzodioxoles N-acylpiperidines Benzene and substituted derivatives Tertiary carboxylic acid amides Carboxylic acid esters Cyclic ketones Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Benzodioxole - N-acyl-piperidine - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Carboxamide group - Cyclic ketone - Carboxylic acid ester - Ketone - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aldehyde - 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