Compound Identification
SMILES
CC1=CC(O)=C2C(C3CC[N+]([O-])(CC3)C(=O)CC3=CC=NC=C3)C3=NC=C(Br)C=C3CCC2=C1
InChIKey
InChIKey=NMDDVKIFSUZDGR-UHFFFAOYSA-N
Formula
C27H28BrN3O3
Mass
522.443
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 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Aryl bromides Heteroaromatic compounds Trisubstituted amine oxides and derivatives Carboxylic acids and derivatives Azacyclic compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - N-acyl-piperidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl bromide - Aryl halide - Piperidine - Benzenoid - Pyridine - Heteroaromatic compound - N-oxide - Carboxylic acid derivative - Azacycle - Trisubstituted n-oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - 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