Compound Identification
SMILES
ONC(=O)\C=C\C1=C(F)C=C(C=C1)[C@@H]1CCCN1CCC1=C2C=CC=CN2N=C1
InChIKey
InChIKey=PKBBMEJEUOATTJ-IBDYFIJFSA-N
Formula
C22H23FN4O2
Mass
394.45
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
Phenylpyrrolidines Pyrazolopyridines Styrenes Aralkylamines Fluorobenzenes Aryl fluorides Pyridines and derivatives N-alkylpyrrolidines Pyrroles Pyrazoles Heteroaromatic compounds Amino acids and derivatives Trialkylamines Hydroxamic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 2-phenylpyrrolidine - Pyrazolopyridine - Styrene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Pyrrole - Heteroaromatic compound - Pyrazole - Azole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Hydroxamic acid - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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