Compound Identification
SMILES
COC(=O)C1=C(C)C(C(O)=C2C(N(CCCN3C=CN=C3)C(=O)C2=O)C2=CC(Br)=CC=C2)=C(C)N1
InChIKey
InChIKey=KTQLDRCVWSBBEP-UHFFFAOYSA-N
Formula
C25H25BrN4O5
Mass
541.402
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
Imidazolyl carboxylic acids and derivatives Pyrrole carboxylic acids and derivatives Bromobenzenes Aryl bromides N-alkylpyrrolidines N-substituted imidazoles Substituted pyrroles Pyrrolidine-2-ones Pyrrolidine-3-ones Vinylogous acids Methyl esters Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Cyclic ketones Azacyclic compounds Enols Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Imidazolyl carboxylic acid derivative - Pyrrole-2-carboxylic acid or derivatives - Halobenzene - Bromobenzene - Aryl bromide - N-substituted imidazole - Aryl halide - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Substituted pyrrole - N-alkylpyrrolidine - Benzenoid - Imidazole - Pyrrole - Tertiary carboxylic acid amide - Methyl ester - Azole - Vinylogous acid - Heteroaromatic compound - Lactam - Carboxylic acid ester - Carboxamide group - Cyclic ketone - Ketone - Azacycle - Carboxylic acid derivative - Enol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen 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