Compound Identification
SMILES
CC1=NC(C)=C(S1)C(=O)C1=C([O-])C(=O)N(CCC[N+]2=CNC=C2)C1C1=CC(Cl)=CC=C1
InChIKey
InChIKey=MQMYETWRRUHNHM-UHFFFAOYSA-N
Formula
C22H21ClN4O3S
Mass
456.95
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 Chlorobenzenes Aryl chlorides N-substituted imidazoles Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - N-substituted imidazole - Monocyclic benzene moiety - Vinylogous acid - Azole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Imidazole - Heteroaromatic compound - Carboxamide group - Lactam - Ketone - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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