Compound Identification
SMILES
ClC1=CC(Br)=C2[C@@H](C3CCN(CC3)C(=O)CC3(CCOCC3)C#N)C3=NC=C(Br)C=C3CCC2=C1
InChIKey
InChIKey=USBVDUIQJBFFCF-RUZDIDTESA-N
Formula
C27H28Br2ClN3O2
Mass
621.8
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 Pyridines and derivatives Oxanes Aryl bromides Aryl chlorides Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Nitriles Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - N-acyl-piperidine - Aryl bromide - Aryl chloride - Aryl halide - Oxane - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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