Compound Identification
SMILES
CN(C)C1=CC=C(C=CC(=O)C2=C(NC3=[N+](C)C4=CC=CC=C4N23)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=PSPGSRZXLICXNC-UHFFFAOYSA-O
Formula
C27H24BrN4O
Mass
500.419
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
Phenylimidazoles Benzimidazoles Styrenes Aniline and substituted anilines Aryl ketones Dialkylarylamines Carbonylimidazoles Bromobenzenes Aryl bromides N-substituted imidazoles Vinylogous amides Acryloyl compounds Heteroaromatic compounds Enones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 4-phenylimidazole - 5-phenylimidazole - Benzimidazole - Styrene - Tertiary aliphatic/aromatic amine - Aryl ketone - Aniline or substituted anilines - Dialkylarylamine - Bromobenzene - Imidazole-4-carbonyl group - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Acryloyl-group - Azole - Heteroaromatic compound - Enone - Vinylogous amide - Imidazole - Alpha,beta-unsaturated ketone - Ketone - Tertiary amine - Organoheterocyclic compound - Azacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic cation - 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