Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)N1CCC(CCN2CCCN(CC2)C2=NC3=CC=CC=C3N2CCS(C)(=O)=O)(C1)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=XUAYVKWNIHCWPW-UHFFFAOYSA-N
Formula
C37H45Cl2N5O6S
Mass
758.76
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
Benzamides Benzimidazoles Anisoles Phenoxy compounds N-acylpyrrolidines Methoxybenzenes Benzoyl derivatives Dichlorobenzenes Dialkylarylamines 1,4-diazepanes Alkyl aryl ethers Aralkylamines Aminoimidazoles Aryl chlorides N-substituted imidazoles Tertiary carboxylic acid amides Sulfones Pyrroles Heteroaromatic compounds Amino acids and derivatives Trialkylamines Azacyclic compounds Organochlorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Benzoic acid or derivatives - Benzimidazole - Benzamide - 1,2-dichlorobenzene - N-acylpyrrolidine - Benzoyl - Phenoxy compound - Phenol ether - Dialkylarylamine - Methoxybenzene - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Diazepane - Aralkylamine - 1,4-diazepane - Aryl chloride - Aminoimidazole - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Imidazole - Pyrrole - Sulfone - Sulfonyl - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - 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