Compound Identification
SMILES
CCOC(=O)C1CN(CCN1C1C2=C(CCC3=CC(Br)=CN=C13)C=C(Cl)C=C2)C(=O)CC1=CN=CC=C1
InChIKey
InChIKey=FCBZRYUDBBGKAK-UHFFFAOYSA-N
Formula
C28H28BrClN4O3
Mass
583.91
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
Alpha amino acid esters Piperazine carboxylic acids Aralkylamines N-alkylpiperazines Pyridines and derivatives Aryl bromides Aryl chlorides Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - Alpha-amino acid ester - Alpha-amino acid or derivatives - Piperazine-2-carboxylic acid - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - 1,4-diazinane - Pyridine - Piperazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid ester - Tertiary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen 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