Compound Identification
SMILES
Cl.COC1=C(OC)C=C(CCN2CCCCC(CN3CCC4=CC(C)=C(C)C=C4C3=O)C2)C=C1
InChIKey
InChIKey=VGHPVWJZUDQNQL-UHFFFAOYSA-N
Formula
C28H39ClN2O3
Mass
487.08
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
Tetrahydroisoquinolines Dimethoxybenzenes Phenethylamines Phenoxy compounds Anisoles Alkyl aryl ethers Azepanes Aralkylamines Tertiary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - O-dimethoxybenzene - Dimethoxybenzene - Tetrahydroisoquinoline - Phenethylamine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Azepane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organic oxygen 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