Compound Identification
SMILES
CCOC1=CC=C(C=C1)N1C(=O)C(Cl)=C(NC2=CC=C(CC(=O)N3CC[NH+](C)CC3)C=C2)C1=O
InChIKey
InChIKey=QOTICRRBSNNNAD-UHFFFAOYSA-O
Formula
C25H28ClN4O4
Mass
483.97
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 Phenylacetamides Aniline and substituted anilines Phenol ethers Phenoxy compounds Alkyl aryl ethers Maleimides N-methylpiperazines Secondary alkylarylamines N-substituted carboxylic acid imides Vinylogous halides Vinylogous amides Dicarboximides Tertiary carboxylic acid amides Quaternary ammonium salts Pyrroles Trialkylamines Enamines Vinyl chlorides Azacyclic compounds Chloroalkenes Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrroline - Alpha-amino acid or derivatives - Phenylacetamide - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Maleimide - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Carboxylic acid imide, n-substituted - Piperazine - Benzenoid - Vinylogous halide - Vinylogous amide - Tertiary carboxylic acid amide - Carboxylic acid imide - Dicarboximide - Quaternary ammonium salt - Pyrrole - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Chloroalkene - Vinyl halide - Haloalkene - Vinyl chloride - Carboxylic acid derivative - Secondary amine - Azacycle - Enamine - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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