Compound Identification
SMILES
COC1=C(OC)C(I)=CC(C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C23)=C1
InChIKey
InChIKey=ZJFSINREZHSAEI-UHFFFAOYSA-N
Formula
C22H20IN3O3
Mass
501.324
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
- Subclass Cinnamic acid amides
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Cinnamic acid amides
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamic acid amides
Alternative Parents
3-alkylindoles Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Iodobenzenes Substituted pyrroles Aryl iodides Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - 3-alkylindole - Dimethoxybenzene - O-dimethoxybenzene - Indole or derivatives - Indole - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Iodobenzene - Halobenzene - Aryl halide - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Aryl iodide - Pyrrole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
External Descriptors
Not available