Compound Identification
SMILES
BrC1=CC2=C(OC(=O)C=C2NC2CCN(CC2)\C=C\C2=CC=CC=C2)C=C1
InChIKey
InChIKey=VLYCHQJRHSZYPJ-DHZHZOJOSA-N
Formula
C22H21BrN2O2
Mass
425.326
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Styrenes Secondary alkylarylamines Pyranones and derivatives Aminopiperidines Aryl bromides Vinylogous amides Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Enamines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Styrene - 4-aminopiperidine - Pyranone - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Azacycle - Secondary amine - Oxacycle - Enamine - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available