Compound Identification
SMILES
FC1=C(C=CC(=O)N2CCOC(COC3=NC=NC4=CC=CC=C34)C2)C(Cl)=CC=C1
InChIKey
InChIKey=JCXUFKQFZKJTIA-UHFFFAOYSA-N
Formula
C22H19ClFN3O3
Mass
427.86
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
Quinazolines Styrenes Alkyl aryl ethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Pyrimidines and pyrimidine derivatives Morpholines Heteroaromatic compounds Tertiary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Quinazoline - Styrene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Morpholine - Aryl chloride - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Oxazinane - Aryl halide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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