Compound Identification
SMILES
FC1=CC=C(C=C1)C1(CCN2CCCC2)OCC2=C1C=CC(=C2)C#N
InChIKey
InChIKey=BRDYMTHAEAPGLX-UHFFFAOYSA-N
Formula
C21H21FN2O
Mass
336.41
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
Fluorobenzenes Aralkylamines N-alkylpyrrolidines Aryl fluorides Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - 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