Compound Identification
SMILES
NC1=C(OC2=C1C(=CC(=N2)C1=CC=C(Cl)C=C1)C(F)(F)F)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=YVUOOCGICWHFKB-UHFFFAOYSA-N
Formula
C21H12ClF3N2O2
Mass
416.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Aryl-phenylketones Phenylpyridines Furopyridines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Furans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organochlorides Alkyl fluorides Organofluorides Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Aryl-phenylketone - 2-phenylpyridine - Furopyridine - Aryl ketone - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Furan - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Primary amine - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available