Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(C2=NN=C(C)S2)C(=O)C(=O)\C1=C(\O)C1=C(C)C=CC(C)=C1
InChIKey
InChIKey=YHURVSUYOHXSGY-HTXNQAPBSA-N
Formula
C23H20BrN3O5S
Mass
530.39
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
Methoxyphenols p-Xylenes Anisoles Methoxybenzenes O-bromophenols Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl bromides Pyrrolidine-3-ones Pyrrolidine-2-ones Pyrroles Vinylogous acids Thiadiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Cyclic ketones Enols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - Phenoxy compound - Anisole - 2-halophenol - P-xylene - Xylene - 2-bromophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Vinylogous acid - Thiadiazole - Pyrrole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Ketone - Lactam - Cyclic ketone - Carboxamide group - Azacycle - Carboxylic acid derivative - Enol - Ether - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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