Compound Identification
SMILES
CCCCCCCCCCCCCCCCN1C(\C(=C(/O)C2=CC=C(OC)C=C2)C(=O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=DWSQEYQKBKTOPU-NHQGMKOOSA-N
Formula
C34H46BrNO4
Mass
612.649
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
Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides N-alkylpyrrolidines Vinylogous acids Tertiary carboxylic acid amides Pyrroles Cyclic ketones Lactams Enols Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Halobenzene - Bromobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous acid - Pyrrole - Carboxamide group - Ketone - Lactam - Cyclic ketone - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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