Compound Identification
SMILES
CC1=CC=C(C=C1)N1C(=O)C(SC2=CC=C(Cl)C=C2)=C(N2CC[NH+](CC3=CC=CC=C3)CC2)C1=O
InChIKey
InChIKey=YVDRZBHHHAJYDQ-UHFFFAOYSA-O
Formula
C28H27ClN3O2S
Mass
505.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
-
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
Alpha amino acids and derivatives Aryl thioethers Benzylamines Phenylmethylamines Aralkylamines Toluenes Chlorobenzenes Maleimides N-alkylpiperazines Vinylogous thioesters Aryl chlorides N-substituted carboxylic acid imides Vinylogous amides Quaternary ammonium salts Pyrroles Dicarboximides Thioenol ethers Trialkylamines Enamines Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrroline - Alpha-amino acid or derivatives - Aryl thioether - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Toluene - Maleimide - N-alkylpiperazine - Aralkylamine - Aryl chloride - 1,4-diazinane - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Benzenoid - Piperazine - Vinylogous thioester - Aryl halide - Dicarboximide - Carboxylic acid imide - Quaternary ammonium salt - Pyrrole - Vinylogous amide - Tertiary aliphatic amine - Amino acid or derivatives - Thioenolether - Tertiary amine - Enamine - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - 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