Compound Identification
SMILES
CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C1=CC=C(F)C=C1)C1=CC(Br)=CC=C1
InChIKey
InChIKey=VGPZGEJDFYEXCO-UHFFFAOYSA-N
Formula
C23H16BrFN2O3
Mass
467.294
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 Phenylpyrimidines Pyrrolopyrimidines Pyrrole carboxylic acids and derivatives Benzoyl derivatives Fluorobenzenes Bromobenzenes Substituted pyrroles Aryl bromides Aryl fluorides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Aryl-phenylketone - 4-phenylpyrimidine - Pyrrolopyrimidine - Pyrrole-3-carboxylic acid or derivatives - Aryl ketone - Benzoyl - Bromobenzene - Halobenzene - Fluorobenzene - Benzenoid - Substituted pyrrole - Aryl halide - Aryl bromide - Pyrimidine - Aryl fluoride - Monocyclic benzene moiety - Vinylogous amide - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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