Compound Identification
SMILES
CCN(CC)CCCN1C(C(C(=O)C2=C(C)N=C(C)S2)=C(O)C1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=TXHFTYBMHIFEMP-UHFFFAOYSA-N
Formula
C23H28FN3O3S
Mass
445.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Pyrroline carboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Aryl ketones Fluorobenzenes Aryl fluorides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Enols Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Pyrroline carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available