Compound Identification
SMILES
CCCCOC1=CC=CC(=C1)C(O)=C1C(N(C(=O)C1=O)C1=NC2=C(S1)C=C(Cl)C=C2)C1=CC(OC)=C(O)C(Br)=C1
InChIKey
InChIKey=BTELGMAYUYLYFW-UHFFFAOYSA-N
Formula
C29H24BrClN2O6S
Mass
643.93
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 Benzothiazoles Anisoles Methoxybenzenes O-bromophenols Phenoxy compounds Alkyl aryl ethers Bromobenzenes Aryl chlorides Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Tertiary carboxylic acid amides Pyrroles Thiazoles Heteroaromatic compounds Vinylogous acids Lactams Cyclic ketones Azacyclic compounds Enols Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - 1,3-benzothiazole - Phenoxy compound - Anisole - 2-bromophenol - 2-halophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrrolidone - 3-pyrrolidone - 2-pyrrolidone - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Vinylogous acid - Azole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxide - 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