Compound Identification
SMILES
COC1=CC=C(N\C(C)=C2/C(N(CCO)C(=O)C2=O)C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=QHMYSAQNRNGZBQ-QGOAFFKASA-N
Formula
C21H21BrN2O4
Mass
445.313
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
Aminophenyl ethers Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones N-alkylpyrrolidines Aryl bromides Vinylogous amides Tertiary carboxylic acid amides Pyrroles Lactams Cyclic ketones Amino acids and derivatives Alkanolamines Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Pyrrolidone - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - 3-pyrrolidone - 2-pyrrolidone - Tertiary carboxylic acid amide - Pyrrole - Vinylogous amide - Amino acid or derivatives - Cyclic ketone - Carboxamide group - Ketone - Lactam - Azacycle - Alkanolamine - Carboxylic acid derivative - Enamine - Ether - Secondary amine - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Amine - Alcohol - 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