Compound Identification
SMILES
COC(=O)NC(=O)CC1(C(=O)OC)C(=O)N(C)C(=O)C2=C1C=C(C=C2)C(F)(F)F
InChIKey
InChIKey=XDIHFCPAQCNMIW-UHFFFAOYSA-N
Formula
C17H15F3N2O7
Mass
416.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
1,3-isoquinolinediones
Intermediate Tree Nodes
Not available
Direct Parent
1,3-isoquinolinediones
Alternative Parents
Isoquinolones and derivatives Tetrahydroisoquinolines Fatty acid esters Benzenoids N-substituted carboxylic acid imides Dicarboximides Methyl esters Methylcarbamates Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organofluorides Alkyl fluorides Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Fatty acid ester - Carboxylic acid imide, n-substituted - Benzenoid - Fatty acyl - Methylcarbamate - Carboxylic acid imide - Dicarboximide - Carbamic acid ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.
External Descriptors
Not available