Compound Identification
SMILES
COC(=O)C1=C(C)C(C(O)=C2C(N(CCN3CCOCC3)C(=O)C2=O)C2=CC=C(Br)C=C2)=C(C)N1
InChIKey
InChIKey=NOHRUHLJEMINNX-UHFFFAOYSA-N
Formula
C25H28BrN3O6
Mass
546.418
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
Pyrrole carboxylic acids and derivatives Bromobenzenes Aryl bromides Morpholines N-alkylpyrrolidines Pyrrolidine-2-ones Pyrrolidine-3-ones Substituted pyrroles Methyl esters Heteroaromatic compounds Vinylogous acids Tertiary carboxylic acid amides Amino acids and derivatives Lactams Trialkylamines Cyclic ketones Azacyclic compounds Enols Oxacyclic compounds Dialkyl ethers Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Pyrrole-2-carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - N-alkylpyrrolidine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Substituted pyrrole - Heteroaromatic compound - Vinylogous acid - Pyrrole - Methyl ester - Tertiary carboxylic acid amide - Cyclic ketone - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Lactam - Ketone - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Oxacycle - Ether - Enol - Dialkyl ether - Organooxygen compound - Amine - Organohalogen compound - Organobromide - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organic oxygen 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