Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)C1N(C2=NN=C(SCC3=CC=C(F)C=C3)S2)C(=O)C(=O)C1=C(O)C1=C(C)C=CC(C)=C1
InChIKey
InChIKey=JGZZCTPHAILENA-UHFFFAOYSA-N
Formula
C31H28FN3O3S2
Mass
573.7
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
Monocyclic monoterpenoids Aromatic monoterpenoids Cumenes Phenylpropanes p-Xylenes Alkylarylthioethers Fluorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl fluorides Pyrroles Heteroaromatic compounds Vinylogous acids Tertiary carboxylic acid amides Thiadiazoles Lactams Cyclic ketones Sulfenyl compounds Azacyclic compounds Enols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Aryl thioether - P-xylene - Xylene - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Pyrrole - Thiadiazole - Tertiary carboxylic acid amide - Azole - Vinylogous acid - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Lactam - Ketone - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Enol - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organofluoride - Organic oxygen compound - Organonitrogen compound - Organooxygen 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