Compound Identification
SMILES
CC(C)C1=CC=C(CN2C=CN=C2C2CCN(CC2)C(=O)C=CC2=CC=CC=C2Br)C=C1
InChIKey
InChIKey=JYKJJMKZBQMVLN-UHFFFAOYSA-N
Formula
C27H30BrN3O
Mass
492.461
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
Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes N-acylpiperidines Cumenes Styrenes Bromobenzenes Aryl bromides N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - N-acyl-piperidine - Phenylpropane - Styrene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - N-substituted imidazole - Benzenoid - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Imidazole - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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