Structure Information
Structure

Compound Identification

SMILES

[Br-].C[N+]1(C)CC[C@H](C1)OC(=O)[C@@](O)(C1CCCC1)C1=CC=CC=C1.CN1CCCC(CC1)N1N=C(CC2=CC=C(Cl)C=C2)C2=CC=CC=C2C1=O

InChIKey

InChIKey=GXWGRTSPYIMKFU-ZRRRUJAZSA-M

Formula

C41H52BrClN4O4

Mass

780.25

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Phthalazines

Direct Parent

Phthalazinones

Alternative Parents

Molecular Framework

Not available

Substituents

Phthalazinone - Azepane - Chlorobenzene - Halobenzene - Pyridazinone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridazine - N-alkylpyrrolidine - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrolidine - Quaternary ammonium salt - Tertiary alcohol - Carboxylic acid ester - Lactam - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Aromatic alcohol - Organochloride - Organohalogen compound - Organonitrogen compound - Amine - Organic bromide salt - Organooxygen compound - Alcohol - Organic salt - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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

Previous Back Next