Compound Identification
SMILES
CN1CCCC(C1)OC(=O)N1CCN(CC1)C1C2=C(CCC3=CC(Br)=CN=C13)C=C(Cl)C=C2
InChIKey
InChIKey=IBLLBUYPYLZUSC-UHFFFAOYSA-N
Formula
C25H30BrClN4O2
Mass
533.9
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 Pyridines and derivatives Piperidines Aryl bromides Aryl chlorides Benzenoids Heteroaromatic compounds Carbamate esters Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - Piperazine-1-carboxylic acid - N-alkylpiperazine - Aralkylamine - Aryl bromide - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carbonyl group - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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