Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC(C)OC(=O)N1CCC(CC1)OCC1=NC(=NO1)C1=CN=C(N=C1)N1C[C@H](N)[C@H](C1)C1=C(F)C=CC(F)=C1
InChIKey
InChIKey=QRIJQTYYPNFZCG-LBPAWUGGSA-N
Formula
C33H39F2N7O7S
Mass
715.77
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
p-Methylbenzenesulfonates Tosyl compounds 1-sulfo,2-unsubstituted aromatic compounds Piperidinecarboxylic acids Benzenesulfonyl compounds Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Fluorobenzenes Aryl fluorides 1,2,4-oxadiazoles Sulfonyls Pyrroles Organosulfonic acids Carbamate esters Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
3-phenylpyrrolidine - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Piperidinecarboxylic acid - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Toluene - Aralkylamine - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyrimidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Sulfonyl - Oxadiazole - Organosulfonic acid - Azole - 1,2,4-oxadiazole - Tertiary amine - Azacycle - Oxacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Primary 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