Compound Identification
SMILES
COC(=O)C1=NC=CC(\C=C(/C#N)C2=NC(OC3CC4=CC=CC=C4C3)=C(OC)C=C2)=C1
InChIKey
InChIKey=XLQGZDCOPHTHPD-YBFXNURJSA-N
Formula
C25H21N3O4
Mass
427.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Indanes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indanes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Indanes
Alternative Parents
Pyridinecarboxylic acids Alkyl aryl ethers Methyl esters Heteroaromatic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indane - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Pyridine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ether - Carbonitrile - Nitrile - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
External Descriptors
Not available