Compound Identification
SMILES
CN1C=NC=C1C(O)(C#CC1=C(C=C(C=C1)C#N)C1=CC(Cl)=CC(Cl)=C1)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=PUBWKJYHDRHOJR-UHFFFAOYSA-N
Formula
C27H16Cl2N4O
Mass
483.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Polychlorinated biphenyls Biphenylcarbonitriles Dichlorobenzenes Benzonitriles Ynones N-substituted imidazoles Aryl chlorides Tertiary alcohols Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Biphenylcarbonitrile - Polychlorinated biphenyl - Chlorinated biphenyl - Biphenyl - 1,3-dichlorobenzene - Benzonitrile - Halobenzene - Chlorobenzene - Benzenoid - N-substituted imidazole - Aryl chloride - Ynone - Aryl halide - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Tertiary alcohol - Azole - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Cyanide - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available