Compound Identification
SMILES
CCCN(C1CCN(CC2CN(CC2C2=CC=CC=C2)C(C2CCCCC2)C(O)=O)CC1)C1=NC(CC2=CC=C(F)C=C2)=C(C)S1
InChIKey
InChIKey=MDUPNEOJJSLWBP-UHFFFAOYSA-N
Formula
C38H51FN4O2S
Mass
646.91
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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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 2,4,5-trisubstituted thiazoles Dialkylarylamines Aralkylamines Fluorobenzenes 2-amino-1,3-thiazoles Piperidines Aryl fluorides N-alkylpyrrolidines Heteroaromatic compounds Pyrroles Trialkylamines Amino acids Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - Alpha-amino acid - Alpha-amino acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Dialkylarylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - N-alkylpyrrolidine - Benzenoid - 1,3-thiazol-2-amine - Pyrrole - Heteroaromatic compound - Thiazole - Azole - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic 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