Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(C(=O)C(=O)C1=C(O)C1=CC=NC=C1)C1=NN=C(SCC2=CC=CC3=CC=CC=C23)S1
InChIKey
InChIKey=RVEHPMVQXSAYJB-UHFFFAOYSA-N
Formula
C30H21BrN4O5S2
Mass
661.55
Taxonomic Classification
Taxonomy Tree
-
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 Naphthalenes Anisoles Methoxybenzenes O-bromophenols Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridines and derivatives Pyrroles Tertiary carboxylic acid amides Thiadiazoles Heteroaromatic compounds Vinylogous acids Lactams Cyclic ketones Enols Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Naphthalene - Methoxyphenol - Phenoxy compound - Aryl thioether - Anisole - 2-bromophenol - 2-halophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 3-pyrrolidone - 2-pyrrolidone - Pyrrole - Heteroaromatic compound - Azole - Vinylogous acid - Tertiary carboxylic acid amide - Thiadiazole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Thioether - Ether - Enol - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - 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