Compound Identification
SMILES
NC(N)=NCC1CCC(CNC2=C3C=CC=C4C(=O)N(C5=CC=CC(CCC(=O)NCCC6=CC(Cl)=CC=C6)=C5)C(=O)C(C=C2)=C34)CC1
InChIKey
InChIKey=MTJKHMLLZIZOFC-UHFFFAOYSA-N
Formula
C38H41ClN6O3
Mass
665.24
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
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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
Naphthalenes Secondary alkylarylamines Chlorobenzenes Aryl chlorides N-substituted carboxylic acid imides Fatty amides Secondary carboxylic acid amides Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - Halobenzene - Secondary aliphatic/aromatic amine - Chlorobenzene - Carboxylic acid imide, n-substituted - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxylic acid imide - Amino acid or derivatives - Guanidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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