Compound Identification
SMILES
OC(=O)CC1=CC=C(CN2N=NC(=N2)C2=CC=CC(=C2)C#CCC2=CC=C(F)C=C2)C=C1
InChIKey
InChIKey=XULFQWXPGBLAMD-UHFFFAOYSA-N
Formula
C25H19FN4O2
Mass
426.451
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
Phenyltetrazoles and derivatives Fluorobenzenes Aryl fluorides Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Phenyltetrazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Tetrazole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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