Compound Identification
SMILES
CC1CN(CC2=CC=C(F)C=C2)CCN1C(=O)\C=C\C1=C(CN2C=NC=N2)C=C(Cl)C=C1
InChIKey
InChIKey=LGOVMVYKDRBBPH-WEVVVXLNSA-N
Formula
C24H25ClFN5O
Mass
453.95
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
Benzylamines Phenylmethylamines Styrenes Aralkylamines N-alkylpiperazines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzylamine - Phenylmethylamine - Styrene - Chlorobenzene - Halobenzene - Fluorobenzene - N-alkylpiperazine - Aralkylamine - Aryl chloride - Monocyclic benzene moiety - Aryl fluoride - Benzenoid - 1,4-diazinane - Piperazine - Aryl halide - 1,2,4-triazole - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen 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