Compound Identification
SMILES
FC1=C(F)C(F)=C(N2C(=O)[C@H]3N=NN(CC(=O)N4N=C(C[C@H]4C4=CC=CC=C4)C4=CC=C(Br)C=C4)[C@@H]3C2=O)C(F)=C1F
InChIKey
InChIKey=HOIKECWWQGNFEP-KXXXHFJOSA-N
Formula
C27H16BrF5N6O3
Mass
647.36
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
Alpha amino acids and derivatives Bromobenzenes Fluorobenzenes Pyrrolidine-2-ones Aryl bromides Aryl fluorides N-substituted carboxylic acid imides Triazolines Pyrroles Pyrazolines Dicarboximides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Organobromides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Alpha-amino acid or derivatives - Halobenzene - Fluorobenzene - Bromobenzene - Carboxylic acid imide, n-substituted - Aryl bromide - Aryl fluoride - Pyrrolidone - 2-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Aryl halide - Triazoline - Dicarboximide - Carboxylic acid imide - Pyrazoline - Pyrrole - Lactam - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen 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