Compound Identification
SMILES
CC1=CN=CN1C[C@@H]1CN(CCS1(=O)=O)C(=O)[C@H]1CN(CCN1C(=O)OC(C)(C)C)C1C2=C(CCC3=CC(Br)=CN=C13)C=C(Cl)C=C2
InChIKey
InChIKey=LEDWJNBCZANHFR-VOBZMJECSA-N
Formula
C33H40BrClN6O5S
Mass
748.13
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 Piperazine carboxamides Piperazine carboxylic acids Aralkylamines N-alkylpiperazines Thiomorpholines Aryl bromides Aryl chlorides Benzenoids N-substituted imidazoles Pyridines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Sulfones Trialkylamines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzocycloheptapyridine - Alpha-amino acid or derivatives - Piperazine-2-carboxamide - Piperazine-1-carboxylic acid - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Aryl bromide - Aryl chloride - N-substituted imidazole - Benzenoid - Aryl halide - 1,4-thiazinane - Piperazine - Pyridine - Imidazole - Heteroaromatic compound - Azole - Carbamic acid ester - Tertiary carboxylic acid amide - Sulfone - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - 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