Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C1N(C2=NC3=C(C)C=C(C)C=C3S2)C(=O)C(=O)C1=C(O)C1=C(C)N=C2C=CC=CN12
InChIKey
InChIKey=RNSMQBJWQUWXQM-UHFFFAOYSA-N
Formula
C29H24N4O5S
Mass
540.59
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
Methoxyphenols Benzothiazoles Imidazo[1,2-a]pyridines Imidazopyridines Anisoles Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridines and derivatives N-substituted imidazoles Pyrroles Thiazoles Heteroaromatic compounds Vinylogous acids Tertiary carboxylic acid amides Lactams Cyclic ketones Enols Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - Imidazopyridine - 1,3-benzothiazole - Imidazo[1,2-a]pyridine - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyrrolidone - N-substituted imidazole - Benzenoid - Pyridine - 2-pyrrolidone - 3-pyrrolidone - Monocyclic benzene moiety - Azole - Imidazole - Heteroaromatic compound - Vinylogous acid - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Lactam - Ketone - Carboxamide group - Cyclic ketone - Azacycle - Ether - Enol - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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