Compound Identification
SMILES
COC1=CC=C(C=C1)C1C2C(N3CCCN13)C(=O)N(C2=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=PZSBHXCUDDXJAN-UHFFFAOYSA-N
Formula
C21H20BrN3O3
Mass
442.313
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 Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Bromobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Aryl bromides Pyrroles Pyrazolidines Dicarboximides Lactams Alkylhydrazines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Alpha-amino acid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Carboxylic acid imide, n-substituted - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Pyrazolidine - Pyrrole - Dicarboximide - Lactam - Alkylhydrazine - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Hydrazine derivative - 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