Compound Identification
SMILES
COC1=C(OC)C=C2N(C)C(=O)C(CCN3C(=O)N4CC=C5C(CC6(Cl)C(=O)N(C(=O)C6(Cl)C5C5=CC=C(OCCO)C=C5)C5=CC=C(F)C=C5)N4C3=O)=NC2=C1
InChIKey
InChIKey=HFLRHBARLLPPJI-UHFFFAOYSA-N
Formula
C39H35Cl2FN6O9
Mass
821.64
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
Quinoxalines Isoindolones Anisoles Phenoxy compounds Nitrogen mustard compounds Urazoles Alkyl aryl ethers Fluorobenzenes Pyrrolidine-2-ones Pyrazines Aryl fluorides N-substituted carboxylic acid imides Triazoles Pyrroles Dicarboximides Heteroaromatic compounds Lactams Azacyclic compounds Primary alcohols Organofluorides Alkyl chlorides Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Quinoxaline - Isoindolone - Isoindoline - Isoindole or derivatives - Anisole - Phenoxy compound - Nitrogen mustard - Phenol ether - Halobenzene - Urazole - Alkyl aryl ether - Fluorobenzene - Benzenoid - Carboxylic acid imide, n-substituted - 2-pyrrolidone - Pyrrolidone - Pyrazine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Dicarboximide - Carboxylic acid imide - Pyrrole - 1,2,4-triazole - Azole - Lactam - Azacycle - Carboxylic acid derivative - Ether - Alkyl chloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organofluoride - Organochloride - 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