Compound Identification
SMILES
CC1CCC(=CC2=CC=C(F)C=C2)C2=C1C(N1C(SC(=CC3=CC(Br)=CC=C3)C1=O)=N2)C1=CC=C(F)C=C1
InChIKey
InChIKey=GTDOXZJBYJYBKL-UHFFFAOYSA-N
Formula
C31H23BrF2N2OS
Mass
589.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
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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
Quinazolines Bromobenzenes Fluorobenzenes Aryl bromides Aryl fluorides Thiazoles Heteroaromatic compounds Isothioureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organooxygen compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Quinazoline - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Isothiourea - Lactam - Azacycle - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - 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