Compound Identification
SMILES
CC1=NC(C)=C(S1)C(=O)C1=C([O-])C(=O)N(CC2=C[NH+]=CC=C2)C1C1=CC=C(C=C1)C(C)(C)C
InChIKey
InChIKey=PEBAEVBXBWQWAX-UHFFFAOYSA-N
Formula
C26H27N3O3S
Mass
461.58
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
Phenylpropanes 2,4,5-trisubstituted thiazoles Aryl ketones Pyrroline carboxylic acids and derivatives Pyridinium derivatives Vinylogous acids Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Lactams Amino acids and derivatives Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Phenylpropane - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Vinylogous acid - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Azole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic salt - 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