Compound Identification
SMILES
CC1=CC=C(CNC2=CN=C3O[C@@]4(CC3=C2)CN2CCC4CC2)C=C1
InChIKey
InChIKey=JESNZAULGYAZPX-NRFANRHFSA-N
Formula
C21H25N3O
Mass
335.451
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Quinuclidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinuclidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinuclidines
Alternative Parents
Phenylmethylamines Benzylamines Toluenes Secondary alkylarylamines Aralkylamines Aminopyridines and derivatives Alkyl aryl ethers Piperidines Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzylamine - Phenylmethylamine - Quinuclidine - Alkyl aryl ether - Aminopyridine - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Pyridine - Piperidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Oxacycle - Azacycle - Ether - Amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available