Compound Identification
SMILES
CCNCC1=CC=C(\C=C\C(=O)N2CCN(CC2)[C@H]2CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=WLVAOCDEDYWBIC-JYNAJPCDSA-N
Formula
C22H28ClN3O
Mass
385.94
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
Benzylamines Phenylmethylamines Styrenes Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Dialkylamines Chloroalkenes Vinyl chlorides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid or derivatives - Benzylamine - Phenylmethylamine - Styrene - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Vinyl halide - Vinyl chloride - Haloalkene - Secondary amine - Chloroalkene - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - 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