Compound Identification
SMILES
FC1=C(C=CC=N1)C(=O)N1CCC(CC1)NC1=C2C=NC=CC2=CC(=C1)C1=CC=CC(=C1)C#N
InChIKey
InChIKey=RTBCNYZXOYWDRZ-UHFFFAOYSA-N
Formula
C27H22FN5O
Mass
451.505
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
Pyridinecarboxylic acids and derivatives N-acylpiperidines Benzonitriles Secondary alkylarylamines 2-halopyridines Aminopiperidines Aryl fluorides Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinoline - N-acyl-piperidine - Pyridine carboxylic acid or derivatives - Benzonitrile - 4-aminopiperidine - 2-halopyridine - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Vinylogous halide - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Carboxylic acid derivative - Secondary amine - Organofluoride - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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