Compound Identification
SMILES
CN1CCC2(CC=C(C)C)C1OC1=C2C(N)=C(Br)C=C1CC=C(C)C
InChIKey
InChIKey=SQMRGQPMSRIJKQ-UHFFFAOYSA-N
Formula
C21H29BrN2O
Mass
405.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
2-bromoanilines N-alkylpyrrolidines Aryl bromides Tertiary amines Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - 2-bromoaniline - Aryl bromide - Aryl halide - N-alkylpyrrolidine - Benzenoid - Pyrrolidine - Tertiary amine - Oxacycle - Azacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available