Compound Identification
SMILES
ClC1=CC=CC=C1N1C(=O)C2C(C1=O)C1(C=NNC3=NC4=CC=CC=C4N3)C3=CC=CC=C3C2C2=CC=CC=C12
InChIKey
InChIKey=KDICSMTUWYWHKK-UHFFFAOYSA-N
Formula
C32H22ClN5O2
Mass
544.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Aryltetralin lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Aryltetralin lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Aryltetralin lignans
Alternative Parents
Anthracenes Phenylpyrrolidines Tetralins Isoindolones Benzimidazoles Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides Pyrroles Dicarboximides Heteroaromatic compounds Imidazoles Lactams Azacyclic compounds Hydrazones Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - Anthracene - 1-phenylpyrrolidine - Isoindolone - Tetralin - Benzimidazole - Isoindoline - Isoindole or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Pyrrolidone - 2-pyrrolidone - Pyrrolidine - Pyrrole - Azole - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Imidazole - Lactam - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrazone - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton.
External Descriptors
Not available