Compound Identification
SMILES
CC1=CN2C(S1)=NC=C2C1CCN(CC2CN(CC2C2=CC(C)=CC=C2)C(CC2CC2)C(O)=O)CC1
InChIKey
InChIKey=SBBNUQZIBDVMRV-UHFFFAOYSA-N
Formula
C29H38N4O2S
Mass
506.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Alpha amino acids Carbocyclic fatty acids Toluenes Aralkylamines N-alkylpyrrolidines N-substituted imidazoles Piperidines Heteroaromatic compounds Pyrroles Thiazoles Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - Carbocyclic fatty acid - Toluene - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - N-alkylpyrrolidine - Benzenoid - Fatty acyl - Azole - Thiazole - Heteroaromatic compound - Pyrrole - Imidazole - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available