Compound Identification
SMILES
CC1=CN(CC2=CC(NC(=O)[C@H]3CN(CCN3C(=O)NC3=CC=C(Cl)C=C3)[C@@H]3C4=C(CCC5=CC(Br)=CN=C35)C=C(Cl)C=C4)=CC=C2)C=N1
InChIKey
InChIKey=HTRIGKSLMYGIQH-VLZNPVHKSA-N
Formula
C37H34BrCl2N7O2
Mass
759.53
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 acids and derivatives N-phenylureas Piperazine carboxamides Anilides N-arylamides Aralkylamines N-alkylpiperazines Chlorobenzenes Pyridines and derivatives N-substituted imidazoles Aryl bromides Aryl chlorides Heteroaromatic compounds Ureas Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - Alpha-amino acid or derivatives - N-phenylurea - Piperazine-2-carboxamide - Anilide - Piperazine-1-carboxamide - N-arylamide - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Aryl bromide - Aryl chloride - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Benzenoid - Piperazine - Pyridine - Azole - Imidazole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Urea - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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