Structure Information
Structure

Compound Identification

SMILES

OC(=O)C([O-])=O.Clc1ccc(Cc2nn(CC[NH+]3C=CN=C3)c(=O)c3ccccc23)cc1

InChIKey

InChIKey=DMHUASNTXXPBNJ-UHFFFAOYSA-N

Formula

C22H19ClN4O5

Mass

454.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Phthalazines

Direct Parent

Phthalazinones

Alternative Parents

Pyridazinones Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Quaternary ammonium salts Heteroaromatic compounds Carboxylic acid salts Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Carboxylic acids Organopnictogen compounds Carbonyl compounds Amines Organochlorides Organic oxides Hydrocarbon derivatives Organic cations

Molecular Framework

Not available

Substituents

Phthalazinone - Chlorobenzene - Halobenzene - Pyridazinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridazine - Heteroaromatic compound - Quaternary ammonium salt - Carboxylic acid salt - Lactam - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic cation - 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

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