Compound Identification
SMILES
COC1=NC(NCC(C2=CC=CN2)C(F)(F)F)=NC(OC)=C1NC(=O)C1=CC=C(CC2=C(C)C=C3C(=C2)C(C)(C)OC3(C)C)O1
InChIKey
InChIKey=LFJCQWJICNWVPQ-UHFFFAOYSA-N
Formula
C32H36F3N5O5
Mass
627.665
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
2-heteroaryl carboxamides Furoic acid and derivatives Alkyl aryl ethers Aminopyrimidines and derivatives Benzenoids Substituted pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Amines Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - 2-heteroaryl carboxamide - Furoic acid or derivatives - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Substituted pyrrole - Benzenoid - Furan - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
Not available