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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
-
Level 5
Phthalazines
- Level 6 Phthalazinones
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Level 5
Phthalazines
-
Subclass
Benzodiazines
-
Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Phthalazines
Direct Parent
Phthalazinones
Alternative Parents
Pyridazinones Azepanes Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Tetraalkylammonium salts Tertiary alcohols Heteroaromatic compounds Trialkylamines Carboxylic acid esters Lactams Azacyclic compounds Monocarboxylic acids and derivatives Organic bromide salts Carbonyl compounds Organic oxides Aromatic alcohols Organochlorides Hydrocarbon derivatives Organic cations
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