Compound Identification
SMILES
O[C@@H](C[C@]1(CC2=CC=CC=C2)NC=C(C2CNC(=O)C3=CC=CC=C23)C1=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1
InChIKey
InChIKey=BFWPVLSACSESSM-VCWUXMPISA-N
Formula
C35H37N3O6
Mass
595.696
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
Tetrahydroisoquinolines Amphetamines and derivatives Aralkylamines Vinylogous amides Pyrrolines Oxolanes 1,3-aminoalcohols Carbamate esters Secondary carboxylic acid amides Secondary alcohols Lactams Cyclic ketones Oxacyclic compounds Allylamines Azacyclic compounds Enamines Dialkylamines Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Amphetamine or derivatives - Tetrahydroisoquinoline - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 1,3-aminoalcohol - Oxolane - Pyrroline - Carbamic acid ester - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Cyclic ketone - Allylamine - Azacycle - Oxacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Enamine - Secondary aliphatic amine - Organooxygen compound - Organic oxide - Aldehyde - Alcohol - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen 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