Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=CSC(NC(=O)[C@@H]2CN(C(=O)C2)C2=CC=CC(C)=C2C)=N1
InChIKey
InChIKey=XBTPUEKWYWIKQS-KRWDZBQOSA-N
Formula
C24H25N3O4S
Mass
451.54
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
Dimethoxybenzenes Anisoles o-Xylenes N-arylamides Phenoxy compounds Pyrrolidinecarboxamides 2,4-disubstituted thiazoles Alkyl aryl ethers Pyrrolidine-2-ones Pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Lactams Secondary carboxylic acid amides Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - O-xylene - Xylene - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Methoxybenzene - Pyrrolidine-3-carboxamide - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Azole - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Amine - 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