Compound Identification
SMILES
CC1=CC(OCCCN2C3=CC=CC=C3N=C2[C@@H]2CN(C(=O)C2)C2=CC(Br)=CC=C2)=CC(C)=C1Cl
InChIKey
InChIKey=BNDOOSIIEHXZHU-FQEVSTJZSA-N
Formula
C28H27BrClN3O2
Mass
552.9
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
Benzimidazoles m-Xylenes Phenol ethers Phenoxy compounds Alkyl aryl ethers Bromobenzenes Chlorobenzenes N-substituted imidazoles Aryl chlorides Aryl bromides Pyrrolidine-2-ones Heteroaromatic compounds Tertiary carboxylic acid amides Pyrroles Lactams Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Benzimidazole - Phenoxy compound - Phenol ether - M-xylene - Xylene - Alkyl aryl ether - Bromobenzene - Halobenzene - Chlorobenzene - N-substituted imidazole - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Benzenoid - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Pyrrole - Azole - Lactam - Carboxamide group - Ether - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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