Compound Identification
SMILES
S=C(NC1CCCCC1)N1CCC(CC1)C1=CN=CN1.CCOC(=O)N1CCC(CC1)=C1C2=C(CCC3=C1N=CC=C3)C=C(Cl)C=C2
InChIKey
InChIKey=XABVSJNDNWSFSB-UHFFFAOYSA-N
Formula
C37H47ClN6O2S
Mass
675.33
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
Piperidinecarboxylic acids Pyridines and derivatives Benzenoids Aryl chlorides Imidazoles Heteroaromatic compounds Carbamate esters Thioureas Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Benzocycloheptapyridine - Piperidinecarboxylic acid - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Carbamic acid ester - Thiourea - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen 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