Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)C(O)=C1C(N(C2=NN=C(C)S2)C(=O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=NXPSSHYSHMAHMK-UHFFFAOYSA-N
Formula
C24H22BrN3O4S
Mass
528.42
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Cyclic ketones Azacyclic compounds Enols Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Pyrrole - Tertiary carboxylic acid amide - Thiadiazole - Azole - Vinylogous acid - Heteroaromatic compound - Carboxamide group - Lactam - Ketone - Cyclic ketone - Azacycle - Carboxylic acid derivative - Enol - Ether - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - 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