Compound Identification
SMILES
CC1=CC2=C(OC3=C(C=C(C#N)C4=CC=CC=C4C3C3=CC(=CC=C3)C(F)(F)F)C2=O)C=C1
InChIKey
InChIKey=MLQYPMRLHQGMNO-UHFFFAOYSA-N
Formula
C27H16F3NO2
Mass
443.425
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptapyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptapyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptapyrans
Alternative Parents
Chromones Trifluoromethylbenzenes Pyranones and derivatives Heteroaromatic compounds Oxacyclic compounds Nitriles Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Chromone - Cycloheptapyran - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Nitrile - Carbonitrile - Oxacycle - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptapyrans. These are organic heterocyclic compounds containing a cycloheptane derivative fused to a pyran. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
External Descriptors
Not available