Compound Identification
SMILES
BrC1=CC=CC=C1C=CC(=O)N1CCC(CC1)C1=NC=CN1CN1N=NC2=CC=CC=C12
InChIKey
InChIKey=VHXGVJKLCIYCNY-UHFFFAOYSA-N
Formula
C24H23BrN6O
Mass
491.393
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
N-acylpiperidines Benzotriazoles Styrenes Bromobenzenes N-substituted imidazoles Aryl bromides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - N-acyl-piperidine - Benzotriazole - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary carboxylic acid amide - Triazole - 1,2,3-triazole - Imidazole - Heteroaromatic compound - Azole - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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