Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=O)C[C@@H](SC(N)=[NH+]\N=C(\C)C2=CC=CC=C2)C1=O
InChIKey
InChIKey=HSUQUSVZOCYHFB-VYZAVGSRSA-O
Formula
C20H21N4O3S
Mass
397.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers S-alkylisothiosemicarbazones N-substituted carboxylic acid imides Thiosemicarbazones Pyrrolidine-2-ones Pyrroles Dicarboximides Lactams Azacyclic compounds Carboximidamides Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - S-alkylisothiosemicarbazone - Isothiosemicarbazone - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Thiosemicarbazone - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Lactam - Azacycle - Sulfenyl compound - Carboximidamide - Carboxylic acid derivative - Ether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic cation - 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