Compound Identification
SMILES
Cl.CCOCCN1CCC2=C(C=CC=C2C(=O)N[C@@H](CC2=CC(F)=CC(F)=C2)[C@@H](O)CNC2(CC2)C2=CC(=CC=C2)C(F)(F)F)C1=O
InChIKey
InChIKey=JQGXKWSSBSZFIC-PNHSAAKESA-N
Formula
C34H37ClF5N3O4
Mass
682.13
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
Phenylbutylamines Trifluoromethylbenzenes Tetrahydroisoquinolines Amphetamines and derivatives Aralkylamines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Lactams Secondary alcohols 1,2-aminoalcohols Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Phenylbutylamine - Amphetamine or derivatives - Trifluoromethylbenzene - Tetrahydroisoquinoline - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - 1,2-aminoalcohol - Lactam - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Azacycle - Alkyl fluoride - Alcohol - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Amine - Organooxygen compound - Hydrochloride - Organofluoride - Organohalogen compound - 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