Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=C(Cl)C=C(CNC2=NN=C(N3CCC(C)(O)CC3)C3=C2C=C(C=C3)C#N)C=C1

InChIKey

InChIKey=RAKALGKIWFNUFA-UHFFFAOYSA-N

Formula

C23H25Cl2N5O2

Mass

474.39

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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

Phenoxy compounds Methoxybenzenes Anisoles Dialkylarylamines Benzylamines Alkyl aryl ethers Aminopyridazines Chlorobenzenes Piperidines Imidolactams Aryl chlorides Tertiary alcohols Heteroaromatic compounds Nitriles Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organochlorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalazine - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyridazine - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Imidolactam - Piperidine - Pyridazine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Nitrile - Ether - Azacycle - Carbonitrile - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Amine - 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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