Compound Identification
SMILES
CC1=NC(C)=C(S1)C(=O)C1=C(O)C(=O)N(CC2=CC=CC=C2)C1C1=CC(Br)=CC=C1
InChIKey
InChIKey=ZNRIKNXUIQULCZ-UHFFFAOYSA-N
Formula
C23H19BrN2O3S
Mass
483.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
2,4,5-trisubstituted thiazoles Pyrroline carboxylic acids and derivatives Aryl ketones Bromobenzenes Aryl bromides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Enols Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Pyrroline carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous acid - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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