Compound Identification
SMILES
CN1C=NN=C1C(O)(C1=CC=C(C=C1)C#N)C1=CC2=C(C=C1)N1NN=NC1N=C2C1=CC(Cl)=CC=C1
InChIKey
InChIKey=CIECTCXNUREDJI-UHFFFAOYSA-N
Formula
C25H18ClN9O
Mass
495.93
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
Quinazolines Benzonitriles Chlorobenzenes Aryl chlorides Triazoles Tetrazolines Tertiary alcohols Heteroaromatic compounds Orthocarboxylic acid derivatives Ortho amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Nitriles Organochlorides Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Quinazoline - Benzonitrile - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - 1,2,4-triazole - Tetrazoline - Tertiary alcohol - Heteroaromatic compound - Ketimine - Orthocarboxylic acid derivative - Ortho amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Hydrocarbon derivative - Aromatic alcohol - Imine - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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