Compound Identification
SMILES
[O-][N+]1=CC=CC(OC(=O)N2CCN(CC2)C2C3=C(CCC4=CC(Br)=CN=C24)C=C(Cl)C=C3)=C1
InChIKey
InChIKey=PZDLWSGRQNLKCH-UHFFFAOYSA-N
Formula
C24H22BrClN4O3
Mass
529.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzocycloheptapyridines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzocycloheptapyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzocycloheptapyridines
Alternative Parents
Piperazine carboxylic acids Aralkylamines N-alkylpiperazines Aryl bromides Aryl chlorides Benzenoids Pyridinium derivatives Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organobromides Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - Piperazine-1-carboxylic acid - N-alkylpiperazine - Aralkylamine - Aryl bromide - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Amine - Organic oxide - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle.
External Descriptors
Not available