Compound Identification
SMILES
CC(C)(C)C1=CC=C(C=C1)C1N(C2=NN=C(SCC3=CC=CC=C3)S2)C(=O)C(=O)C1=C(O)C1=CC=NC=C1
InChIKey
InChIKey=WPWKRKDWYYVYAT-UHFFFAOYSA-N
Formula
C29H26N4O3S2
Mass
542.67
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
Phenylpropanes Alkylarylthioethers Pyridines and derivatives Pyrrolidine-2-ones Pyrrolidine-3-ones Pyrroles Vinylogous acids Thiadiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Cyclic ketones Azacyclic compounds Enols Sulfenyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenylpropane - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Heteroaromatic compound - Vinylogous acid - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Azole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Sulfenyl compound - Azacycle - Thioether - Carboxylic acid derivative - Enol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen 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