Compound Identification
SMILES
COC1=CC2=C(C=C1)C(N1CCN(CC1)C(=O)CC1=CC=[N+]([O-])C=C1)C1=NC=C(Br)C=C1CC2
InChIKey
InChIKey=RSTRSLQWPXUXTQ-UHFFFAOYSA-N
Formula
C26H27BrN4O3
Mass
523.431
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
Anisoles Alkyl aryl ethers Aralkylamines N-alkylpiperazines Pyridinium derivatives Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - Phenol ether - Anisole - Alkyl aryl ether - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Pyridine - Pyridinium - Aryl bromide - Benzenoid - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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