Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=C(C)N=C3C=CC=CN23)C(=O)C1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=QMPTVARSBJVAAD-UHFFFAOYSA-N
Formula
C28H21FN4O4S
Mass
528.56
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
Benzothiazoles Imidazo[1,2-a]pyridines Imidazopyridines Phenol ethers Alkyl aryl ethers Fluorobenzenes Aryl fluorides Pyrrolidine-3-ones Pyrrolidine-2-ones N-substituted imidazoles Pyridines and derivatives Thiazoles Vinylogous acids Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Lactams Cyclic ketones Azacyclic compounds Enols Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Imidazopyridine - Imidazo[1,2-a]pyridine - 1,3-benzothiazole - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - N-substituted imidazole - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Vinylogous acid - Imidazole - Pyrrole - Azole - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Lactam - Ketone - Carboxamide group - Cyclic ketone - Azacycle - Carboxylic acid derivative - Enol - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organofluoride - Organohalogen 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