Compound Identification
SMILES
CC1=C(Cl)C=C2C(=C1)[C@H](OC21CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1C1=C(F)C=C(F)C=C1)C1CCOCC1)C(C)(C)N1CCC(F)(F)C1
InChIKey
InChIKey=XFXXFTJQZRTTAK-NGKQEFFVSA-N
Formula
C36H44ClF4N3O3
Mass
678.21
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
N-acylpiperidines Isocoumarans Isobenzofurans Pyrrolidinecarboxamides Aralkylamines Fluorobenzenes Oxanes Aryl chlorides Aryl fluorides N-alkylpyrrolidines Tertiary carboxylic acid amides Pyrroles Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Alkyl fluorides Organic oxides Organochlorides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Isocoumaran - Isobenzofuran - N-acyl-piperidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Piperidine - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Oxane - Aryl halide - Aryl fluoride - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Oxacycle - Alkyl fluoride - Amine - Organohalogen compound - Organochloride - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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