Compound Identification
SMILES
[Na+].CC(C)OC1=C(C=C(C=C1)C1=NN=C(S1)C1=C(C)C2=C(CN(CCCC(O)=O)CC2)C=C1)C#N
InChIKey
InChIKey=GEPPNIIPPVENKM-UHFFFAOYSA-N
Formula
C26H28N4NaO3S
Mass
499.58
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
Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Amino fatty acids Aralkylamines Thiadiazoles Heteroaromatic compounds Trialkylamines Amino acids Organic alkali metal salts Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetrahydroisoquinoline - Phenoxy compound - Phenol ether - Benzonitrile - Alkyl aryl ether - Amino fatty acid - Aralkylamine - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Thiadiazole - Azole - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Amino acid - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic alkali metal salt - Organic oxygen compound - Amine - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic cation - 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