Compound Identification
SMILES
OC1(CC(C2=CC=C(C=C2)C2=CC=CC=C2)=[N+]2CCCCCN12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PRAFKTDMAGYZDQ-UHFFFAOYSA-N
Formula
C26H26ClN2O
Mass
417.96
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
Biphenyls and derivatives Chlorobenzenes 1,2-diazepanes Aryl chlorides Pyrazolines Azacyclic compounds Alkanolamines Organooxygen compounds Organochlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Biphenyl - 1,2-diazepane - Chlorobenzene - Diazepane - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrazoline - Alkanolamine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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