Compound Identification
SMILES
COC1=CC(N2CCCC2)=C(OC)C=C1\C=C1\SC(=NC2=CC=CC=C2)N(C[C@H]2CCCO2)C1=O
InChIKey
InChIKey=IRSNMXQBKBYWLF-AGDSTKQOSA-N
Formula
C27H31N3O4S
Mass
493.62
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 Aminophenyl ethers Methoxyanilines Phenoxy compounds Anisoles Dialkylarylamines Alkyl aryl ethers Thiazolidines Pyrroles Oxolanes Amino acids and derivatives Isothioureas Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Dimethoxybenzene - P-dimethoxybenzene - Methoxyaniline - Aminophenyl ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrrole - Thiazolidine - Oxolane - Amino acid or derivatives - Isothiourea - Tertiary amine - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen 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