Structure Information
Structure

Compound Identification

SMILES

Cn1n(CCCN2CCN(CC2)S(=O)(=O)c2cccc(Br)c2)c(=O)c2ccccc2c1=O

InChIKey

InChIKey=LLJKVTMFAFWRTR-UHFFFAOYSA-N

Formula

C22H25BrN4O4S

Mass

521.43

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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

Benzenesulfonamides Benzenesulfonyl compounds Bromobenzenes N-alkylpiperazines Pyridazinones Aryl bromides Organosulfonamides Heteroaromatic compounds Sulfonyls Lactams Trialkylamines Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Organopnictogen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalazinone - Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Pyridazinone - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridazine - Aryl bromide - Organosulfonic acid amide - Aryl halide - Benzenoid - Organic sulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organic oxide - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organopnictogen 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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