Compound Identification
SMILES
CC1(C)CC(O)(C(NNC2=NNC(=O)C3=CC=CC=C23)C2=C1C(O)=C(Cl)C=C2)C(F)(F)F
InChIKey
InChIKey=VZQWLXIULDOFST-UHFFFAOYSA-N
Formula
C21H20ClF3N4O3
Mass
468.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
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Level 5
Phthalazines
- Level 6 Phthalazinones
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Level 5
Phthalazines
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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
Tetralins Halophenols Pyridazinones 1-hydroxy-4-unsubstituted benzenoids Aryl chlorides Imidolactams Tertiary alcohols Heteroaromatic compounds Lactams Fluorohydrins Alkylhydrazines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalazinone - Tetralin - 2-halophenol - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Pyridazinone - Imidolactam - Benzenoid - Aryl chloride - Pyridazine - Aryl halide - Heteroaromatic compound - Tertiary alcohol - Fluorohydrin - Halohydrin - Lactam - Azacycle - Alkylhydrazine - Organic oxygen compound - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrazine derivative - Organic nitrogen compound - Organooxygen compound - Alcohol - Alkyl fluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - 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