Compound Identification
SMILES
OCC1=CN=CC(=C1)C1=NN(C(C1)C1=C(O)C=CC=C1F)C(=O)C1=CN(C=N1)C1=CC2=C(CNCC2)C=C1
InChIKey
InChIKey=NTAJWKPEVFTBAP-UHFFFAOYSA-N
Formula
C28H25FN6O3
Mass
512.545
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Tetrahydroisoquinolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Tetrahydroisoquinolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetrahydroisoquinolines
Alternative Parents
M-fluorophenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Carbonylimidazoles Fluorobenzenes Pyridines and derivatives Aryl fluorides N-substituted imidazoles Vinylogous amides Pyrazolines Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Dialkylamines Organic oxides Organofluorides Aromatic alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydroisoquinoline - 3-fluorophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Fluorobenzene - Aralkylamine - Imidazole-4-carbonyl group - N-substituted imidazole - Aryl fluoride - Aryl halide - Pyridine - Monocyclic benzene moiety - Benzenoid - Pyrazoline - Heteroaromatic compound - Imidazole - Vinylogous amide - Azole - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Primary alcohol - Organic nitrogen compound - Amine - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives.
External Descriptors
Not available