Compound Identification
SMILES
CN(C=C)C(=C/N)\[C@](O)(C1=CC=C(CNCCNC2=CC=CC=C2)C=C1)C1=CC2=C(C=C1)N1NNN=C1N=C2C1=CC(Cl)=CC=C1
InChIKey
InChIKey=NEKJQSSZKMBZIH-FUZBLHKMSA-N
Formula
C35H36ClN9O
Mass
634.19
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 Aniline and substituted anilines Benzylamines Phenylalkylamines Phenylmethylamines Chlorobenzenes Secondary alkylarylamines Aryl chlorides Tertiary alcohols Tetrazolines Trialkylamines Propargyl-type 1,3-dipolar organic compounds Enamines Dialkylamines Allylamines Azacyclic compounds Aromatic alcohols Organochlorides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Quinazoline - Phenylmethylamine - Benzylamine - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Halobenzene - Aralkylamine - Chlorobenzene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Tertiary alcohol - Tetrazoline - Tertiary aliphatic amine - Tertiary amine - Allylamine - Azacycle - Secondary aliphatic amine - Enamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Primary aliphatic amine - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Aromatic alcohol - Amine - 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