Compound Identification
SMILES
C[C@@H]1CCN(C1)C1=NC=C(CN2C=C(C(=O)NCC3=CC4=C(C=C3)C(N)=NC=C4)C(=N2)C(F)(F)F)C=C1
InChIKey
InChIKey=WETAMWXIAPCHJG-MRXNPFEDSA-N
Formula
C26H26F3N7O
Mass
509.537
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
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
Dialkylarylamines Pyrazole-4-carboxamides Aminopyridines and derivatives Benzenoids Imidolactams Heteroaromatic compounds Vinylogous amides Pyrrolidines Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - Pyrazole-4-carboxamide - Dialkylarylamine - Aminopyridine - Pyridine - Benzenoid - Imidolactam - Azole - Pyrazole - Pyrrolidine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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