Compound Identification
SMILES
CC(O)C1=C(N(C=N1)C1CCCC2=C(Cl)C=C(Cl)C=C12)C1=CNC2=CN=C(OCC3=CC=CC=C3)C=C12
InChIKey
InChIKey=DJDYUOCDKRIWIS-UHFFFAOYSA-N
Formula
C29H26Cl2N4O2
Mass
533.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Pyrrolopyridines Alkyl aryl ethers Substituted pyrroles Pyridines and derivatives N-substituted imidazoles Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tetralin - Pyrrolopyridine - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azole - Imidazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available