Compound Identification
SMILES
COC1=CC(=CC(OC)=C1OC)C(=O)N1CCC(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2=CC=C(Cl)S2)(C1)C1=CC(F)=C(F)C=C1
InChIKey
InChIKey=NQIHRJOYTBQVEJ-UHFFFAOYSA-N
Formula
C39H42ClF2N5O4S
Mass
750.3
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 Phenoxy compounds Anisoles N-acylpyrrolidines Methoxybenzenes Benzoyl derivatives 2,5-disubstituted thiophenes Alkyl aryl ethers Aralkylamines Fluorobenzenes Aminoimidazoles Piperidines Aryl chlorides N-substituted imidazoles Aryl fluorides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrolidine - Benzoic acid or derivatives - Benzimidazole - Benzamide - Phenoxy compound - Anisole - Phenol ether - Benzoyl - N-acylpyrrolidine - Methoxybenzene - 2,5-disubstituted thiophene - Halobenzene - Fluorobenzene - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Aminoimidazole - N-substituted imidazole - Piperidine - Benzenoid - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azole - Thiophene - Tertiary carboxylic acid amide - Pyrrole - Imidazole - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - 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