Compound Identification
SMILES
[Na].ClC1=CC2=C(C=C1)C(=C1CCNCC1)C1=C(CC2)C=CC=N1.CC(C)(O)C1=CC=CC=C1CC[C@@H](SCC1(CC(O)=O)CC1)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1
InChIKey
InChIKey=FJCUNNFGRODSGV-ZPQUALOVSA-N
Formula
C54H55Cl2N3NaO3S
Mass
920.0
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
Linear 1,3-diarylpropanoids Chloroquinolines Phenylpropanes Styrenes Thia fatty acids Hydroxy fatty acids Pyridines and derivatives Piperidines Aryl chlorides Tertiary alcohols Heteroaromatic compounds Sulfenyl compounds Organic alkali metal salts Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Dialkylamines Carboxylic acids Aromatic alcohols Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Linear 1,3-diarylpropanoid - Benzocycloheptapyridine - Chloroquinoline - Haloquinoline - Quinoline - Phenylpropane - Styrene - Hydroxy fatty acid - Thia fatty acid - Aryl halide - Fatty acyl - Piperidine - Benzenoid - Aryl chloride - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Monocarboxylic acid or derivatives - Organic alkali metal salt - Dialkylthioether - Sulfenyl compound - Secondary amine - Thioether - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic alcohol - Alcohol - 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