Compound Identification
SMILES
COC1=C(O)C(Br)=CC(=C1)C1N(C(=O)C(=O)\C1=C(\O)C1=C(C)N=C2C=CC=CN12)C1=NN=C(SCC2=C(Cl)C=C(Cl)C=C2)S1
InChIKey
InChIKey=MCXDLMUIQLOMMD-NJNXFGOHSA-N
Formula
C29H20BrCl2N5O5S2
Mass
733.43
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 Imidazo[1,2-a]pyridines Imidazopyridines Anisoles Dichlorobenzenes Methoxybenzenes O-bromophenols Phenoxy compounds Bromobenzenes Alkylarylthioethers Alkyl aryl ethers Pyrrolidine-3-ones Pyrrolidine-2-ones Pyridines and derivatives Aryl chlorides N-substituted imidazoles Aryl bromides Thiadiazoles Vinylogous acids Heteroaromatic compounds Pyrroles Tertiary carboxylic acid amides Lactams Cyclic ketones Enols Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organochlorides Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - Imidazopyridine - Imidazo[1,2-a]pyridine - Phenol ether - 1,3-dichlorobenzene - Methoxybenzene - 2-halophenol - 2-bromophenol - Phenoxy compound - Anisole - Aryl thioether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Phenol - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl chloride - N-substituted imidazole - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridine - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Azole - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Vinylogous acid - Imidazole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Enol - Ether - Organic oxide - Organooxygen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organohalogen 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