Compound Identification
SMILES
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=HTOVXDNIOVMYKF-IRLDBZIGSA-N
Formula
C26H31F2N7O4
Mass
543.576
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
Piperidinecarboxylic acids Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Fluorobenzenes Aryl fluorides Pyrroles 1,2,4-oxadiazoles Carbamate esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organofluorides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-phenylpyrrolidine - Piperidinecarboxylic acid - Dialkylarylamine - Aminopyrimidine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyrimidine - 1,2,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Carbamic acid ester - Pyrrole - Tertiary amine - Azacycle - Dialkyl ether - Ether - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen 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