Compound Identification
SMILES
O[C@@H]1[C@@H](CC2=CC=CC=C2)COC2=C1C=CC(=C2)C1=C(C=CC(F)=C1)C1=NNN=N1
InChIKey
InChIKey=SAPBASAGKVXQQV-KSFYIVLOSA-N
Formula
C23H19FN4O2
Mass
402.429
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
Homoisoflavans Phenyltetrazoles and derivatives 1-benzopyrans Fluorobenzenes Alkyl aryl ethers Aryl fluorides Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Homoisoflavan - Homoisoflavonoid - Phenyltetrazole - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - Halobenzene - Fluorobenzene - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Tetrazole - Heteroaromatic compound - Azole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - 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