Compound Identification
SMILES
COC(=O)C1=NN(C2C1C(=O)N(C2=O)C1=CC=C(Br)C=C1)C1=CC=C(OC)C=C1
InChIKey
InChIKey=VBQBDXBPQRJXRL-UHFFFAOYSA-N
Formula
C20H16BrN3O5
Mass
458.268
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 Methoxyanilines Pyrrolopyrazoles Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Pyrrolidine-2-ones Aryl bromides N-substituted carboxylic acid imides Methyl esters Pyrazolines Dicarboximides Pyrroles N-alkylated hydrazones Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organobromides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Alpha-amino acid or derivatives - Methoxyaniline - Phenol ether - Pyrrolopyrazole - Phenoxy compound - Methoxybenzene - Anisole - Halobenzene - Alkyl aryl ether - Bromobenzene - Benzenoid - Monocyclic benzene moiety - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide, n-substituted - Aryl halide - Aryl bromide - Methyl ester - Pyrrole - Pyrazoline - Dicarboximide - Carboxylic acid imide - N-alkylated hydrazone - Carboxylic acid ester - Lactam - Ether - Carboxylic acid derivative - Azacycle - Hydrazone - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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