Compound Identification
SMILES
FC(F)(F)C1=CC=C(\C=C\C(=O)N(CC2=CC=C(NC3=NC=NC=C3)C=C2)C2CCN(CC2)C2CCCC2)C=C1
InChIKey
InChIKey=BPUZYQFKBTXWPI-NTEUORMPSA-N
Formula
C31H34F3N5O
Mass
549.642
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
Trifluoromethylbenzenes Aniline and substituted anilines Styrenes Aminopyrimidines and derivatives Imidolactams Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Trifluoromethylbenzene - Styrene - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Piperidine - Pyrimidine - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Amine - 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