Compound Identification
SMILES
COC1=CC=C(CNC2=NC(=NN2C(=O)C=CC2=CC=CC=C2Cl)C2=CN=CC=C2)C=C1
InChIKey
InChIKey=UNODWSKLYGXKAH-UHFFFAOYSA-N
Formula
C24H20ClN5O2
Mass
445.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acids and derivatives
Alternative Parents
Pyridyl-1,2,4-triazoles Styrenes Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Triazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Pyridyltriazole - Pyridyl-1,2,4-triazole - Anisole - Benzylamine - Phenol ether - Styrene - Phenoxy compound - Methoxybenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Pyridine - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available