Structure Information
Structure

Compound Identification

SMILES

O=C1N(CCN2C=CN=C2)NC(C2=CC3=C(OCO3)C=C2)C2=CC3=C(OCO3)C=C12

InChIKey

InChIKey=ZWQBRRLRRWFAOB-UHFFFAOYSA-N

Formula

C21H18N4O5

Mass

406.398

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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

Benzodioxoles N-substituted imidazoles Benzenoids Heteroaromatic compounds Carboxylic acid hydrazides Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalazinone - Benzodioxole - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carboxylic acid hydrazide - Oxacycle - Acetal - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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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