Structure Information
Structure

Compound Identification

SMILES

CN1N=NC2=C(N=CN2C1=O)C(N)=O.ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C3=CC=CC=C23)C=C1

InChIKey

InChIKey=NPPFGFNDCKXIOC-UHFFFAOYSA-N

Formula

C26H21ClN10O2

Mass

540.97

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Not available

Direct Parent

Phthalazines

Alternative Parents

Imidazotetrazines 2-heteroaryl carboxamides Aniline and substituted anilines Aminopyridazines Carbonylimidazoles Chlorobenzenes Tetrazines Aryl chlorides Pyridines and derivatives Imidolactams N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Primary carboxylic acid amides Secondary amines Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides

Molecular Framework

Not available

Substituents

Phthalazine - Imidazotetrazine - 2-heteroaryl carboxamide - Aniline or substituted anilines - Aminopyridazine - Halobenzene - Chlorobenzene - Imidazole-4-carbonyl group - Aryl chloride - N-substituted imidazole - Aryl halide - Pyridazine - Pyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Tetrazine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Azacycle - Secondary amine - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.

External Descriptors

Not available

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