Compound Identification
SMILES
ClC1=CC(Br)=C2C(C3CCN(CC3)C(=O)C3CCC4(CC3)OCCO4)C3=NC=C(Br)C=C3CCC2=C1
InChIKey
InChIKey=BULPDPBBRORFIS-UHFFFAOYSA-N
Formula
C28H31Br2ClN2O3
Mass
638.83
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
N-acylpiperidines Ketals Aryl bromides Aryl chlorides Benzenoids Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds 1,3-dioxolanes Azacyclic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - N-acyl-piperidine - Ketal - Piperidine - Pyridine - Benzenoid - Aryl halide - Aryl chloride - Aryl bromide - Tertiary carboxylic acid amide - Heteroaromatic compound - Meta-dioxolane - Carboxamide group - Azacycle - Oxacycle - Acetal - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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