Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(C(=O)C(=O)C1=C(O)C1=C(C)C=CC(C)=C1)C1=NN=C(SCC2=CC=CC3=CC=CC=C23)S1
InChIKey
InChIKey=XDZLXEHBJBUATK-UHFFFAOYSA-N
Formula
C33H26BrN3O5S2
Mass
688.61
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
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 p-Xylenes Anisoles Phenoxy compounds Methoxybenzenes O-bromophenols Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Cyclic ketones Lactams Azacyclic compounds Enols Sulfenyl compounds Hydrocarbon derivatives Organonitrogen compounds Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - Naphthalene - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - P-xylene - Xylene - 2-bromophenol - 2-halophenol - Methoxybenzene - Alkylarylthioether - Halobenzene - Bromobenzene - Phenol - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Thiadiazole - Tertiary carboxylic acid amide - Azole - Pyrrole - Vinylogous acid - Heteroaromatic compound - Cyclic ketone - Carboxamide group - Lactam - Ketone - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Ether - Enol - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organobromide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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