Compound Identification
SMILES
CCN(CC)CCN1C2=NC(=C(N2C2=CC=CC=C12)C(=O)C=CC1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=WJJAJLYCVXRVEO-UHFFFAOYSA-N
Formula
C30H28Cl2N4O
Mass
531.48
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 Aryl ketones Carbonylimidazoles Chlorobenzenes Aryl chlorides N-substituted imidazoles Acryloyl compounds Heteroaromatic compounds Enones Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - 5-phenylimidazole - 4-phenylimidazole - Benzimidazole - Styrene - Aryl ketone - Imidazole-4-carbonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Alpha,beta-unsaturated ketone - Azole - Enone - Heteroaromatic compound - Imidazole - Acryloyl-group - Ketone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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