Compound Identification
SMILES
CC1=NC=CN1CC1=CC2=C(C=CC(Cl)=C2)[C@@H](N2CCN(CC2)C(=O)NC2=CC=C(C=C2)C#N)C2=NC=C(Br)C=C12
InChIKey
InChIKey=DIESLSSSIZETLT-SSEXGKCCSA-N
Formula
C31H27BrClN7O
Mass
628.96
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-phenylureas Piperazine carboxamides Benzonitriles N-alkylpiperazines Aralkylamines N-substituted imidazoles Aryl chlorides Aryl bromides Pyridines and derivatives Heteroaromatic compounds Trialkylamines Ureas Nitriles Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - N-phenylurea - Piperazine-1-carboxamide - Benzonitrile - Aralkylamine - N-alkylpiperazine - Aryl bromide - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Pyridine - Piperazine - Azole - Heteroaromatic compound - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Nitrile - Carbonitrile - Amine - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen 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