Compound Identification
SMILES
BrC1=C2CCC(=O)C2=CC(=C1)N1CC[C@@H](OC2=CN=C(OCC3CC3)C=C2)C1=O
InChIKey
InChIKey=XLMPLRRTGTYVPM-HXUWFJFHSA-N
Formula
C22H21BrN2O4
Mass
457.324
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indanes
Subclass
Indanones
Intermediate Tree Nodes
Not available
Direct Parent
Indanones
Alternative Parents
Aryl alkyl ketones Alkyl aryl ethers Pyrrolidine-2-ones Pyridines and derivatives Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indanone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Aryl bromide - Aryl halide - 2-pyrrolidone - Pyrrolidone - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Ketone - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors
Not available