Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC(=O)C2=CN=CC=C2)C=CC(\C=N/NC2=NN=CC3=CC=CC=C23)=C1

InChIKey

InChIKey=UELSTPXXPLBXGB-MSXFZWOLSA-N

Formula

C22H17N5O3

Mass

399.41

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenol ester - Phthalazine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyridazine - Imidolactam - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Hydrazone - Ether - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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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