Compound Identification
SMILES
CN1C=NN=C1C(C1=CC=C(C=C1)C#N)C1=CC2=C3N(CC2)C(=O)C=C(C2=CC(Cl)=CC=C2)C3=C1
InChIKey
InChIKey=DUQSPAQJEIFJHM-UHFFFAOYSA-N
Formula
C28H20ClN5O
Mass
477.95
Taxonomic Classification
Taxonomy Tree
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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
Phenylquinolines Phenylpyridines Hydroquinolones Aromatic monoterpenoids Hydroquinolines Indoles and derivatives Benzonitriles Pyridinones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Triazoles Lactams Azacyclic compounds Nitriles Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Phenylquinoline - 4-phenylpyridine - Dihydroquinolone - Monoterpenoid - P-cymene - Aromatic monoterpenoid - Quinoline - Dihydroquinoline - Indole or derivatives - Benzonitrile - Pyridinone - Halobenzene - Chlorobenzene - Aryl chloride - Pyridine - Aryl halide - Benzenoid - Monocyclic benzene moiety - Azole - Heteroaromatic compound - 1,2,4-triazole - Lactam - Organoheterocyclic compound - Azacycle - Carbonitrile - Nitrile - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen 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