Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(S2)N1C(C(=C(O)C2=CC3=C(OC(C)C3)C=C2)C(=O)C1=O)C1=CC(OC)=C(O)C(Br)=C1
InChIKey
InChIKey=DXVHJJDRGKOWGR-UHFFFAOYSA-N
Formula
C29H23BrN2O7S
Mass
623.47
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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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 Benzothiazoles Coumarans Phenoxy compounds O-bromophenols Methoxybenzenes Anisoles Alkyl aryl ethers Bromobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl bromides Pyrroles Thiazoles Tertiary carboxylic acid amides Vinylogous acids Heteroaromatic compounds Lactams Cyclic ketones Oxacyclic compounds Azacyclic compounds Enols Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Methoxyphenol - Coumaran - 1,3-benzothiazole - Phenoxy compound - Anisole - 2-halophenol - 2-bromophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Vinylogous acid - Thiazole - Pyrrole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Ketone - Lactam - Cyclic ketone - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Ether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organobromide - Organic oxide - Hydrocarbon derivative - 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