Compound Identification
SMILES
CC(C)[C@H](NC(=O)CN1C(=O)C=CN=C1C1=CC=C(F)C=C1)C(=O)C1=NN=C(O1)C(C)(C)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=IEKLTTRISJZPGE-DEOSSOPVSA-N
Formula
C29H28FN5O6
Mass
561.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Aryl alkyl ketones Pyrimidones Fluorobenzenes Aryl fluorides Hydropyrimidines Heteroaromatic compounds 1,3,4-oxadiazoles Lactams Secondary carboxylic acid amides Acetals Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Aldehydes Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl alkyl ketone - Aryl ketone - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Benzenoid - Pyrimidine - Monocyclic benzene moiety - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Ketone - Lactam - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Azacycle - Acetal - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available