Compound Identification
SMILES
COC1=CC=C(C=C1)C(\C=C\C1=CC=CC=C1)=NC1=NNC(=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PMRCFTNVOXZNMD-SVMQENHYSA-N
Formula
C25H20ClN3O
Mass
413.91
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
Phenylpyrazoles Anisoles Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azomethines Secondary ketimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Phenylpyrazole - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Pyrazole - Azole - Azomethine - Ketimine - Azacycle - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organochloride - Organohalogen compound - Imine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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