Structure Information
Structure

Compound Identification

SMILES

[Cl-].Fc1cccc(Cc2nn(C3CCC[NH+](Cc4ccccc4)CC3)c(=O)c3ccccc23)c1

InChIKey

InChIKey=CDTPQIHKGXMXEO-UHFFFAOYSA-N

Formula

C28H29ClFN3O

Mass

478.01

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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

Phenylmethylamines Benzylamines Pyridazinones Aralkylamines Azepanes Fluorobenzenes Aryl fluorides Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organofluorides Organooxygen compounds Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalazinone - Benzylamine - Phenylmethylamine - Azepane - Fluorobenzene - Halobenzene - Pyridazinone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyridazine - Aryl fluoride - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic chloride salt - Organic salt - Amine - Organic cation - 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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