Compound Identification
SMILES
CC1=C(C(=O)C(=CC2=CC(C=C(C#N)C(=O)C3=C(C)NC4=CC=CC=C34)=CC=C2)C#N)C2=CC=CC=C2N1
InChIKey
InChIKey=SCGGXEJSXVPNAO-UHFFFAOYSA-N
Formula
C32H22N4O2
Mass
494.554
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
Indoles Aryl ketones Substituted pyrroles Benzene and substituted derivatives Alpha-branched alpha,beta-unsaturated ketones Vinylogous amides Heteroaromatic compounds Enones Acryloyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid or derivatives - Indole - Indole or derivatives - Aryl ketone - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Alpha-branched alpha,beta-unsaturated-ketone - Vinylogous amide - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Pyrrole - Ketone - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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