Compound Identification
SMILES
CCCCCN1N=C(C(=O)OCC(=O)C2=CC=C(C)S2)C2=CC=CC=C2C1=O
InChIKey
InChIKey=DUFIKTJGNMOGAX-UHFFFAOYSA-N
Formula
C21H22N2O4S
Mass
398.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
-
Level 5
Phthalazines
- Level 6 Phthalazinones
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Level 5
Phthalazines
-
Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Phthalazines
Direct Parent
Phthalazinones
Alternative Parents
Aryl alkyl ketones Pyridazinones 2,5-disubstituted thiophenes Benzenoids Heteroaromatic compounds Lactams Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalazinone - Aryl alkyl ketone - Aryl ketone - 2,5-disubstituted thiophene - Pyridazinone - Pyridazine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.
External Descriptors
Not available