Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1N(CCO)C(=O)C2=C1\C(NN2)=C1/C=C(Cl)C(C)=CC1=O
InChIKey
InChIKey=LUWACAZQTJGDGD-UYRXBGFRSA-N
Formula
C22H22ClN3O5
Mass
443.88
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 Dimethoxybenzenes Anisoles O-quinomethanes Phenoxy compounds Alkyl aryl ethers Vinylogous amides Tertiary carboxylic acid amides Pyrroles Pyrazolines Lactams Vinyl chlorides Chloroalkenes Azacyclic compounds Alkanolamines Hydrocarbon derivatives Hydrazines and derivatives Organic oxides Organochlorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Alpha-amino acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - O-quinomethane - Quinomethane - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrazoline - Tertiary carboxylic acid amide - Vinylogous amide - Cyclic ketone - Lactam - Ketone - Carboxamide group - Alkanolamine - Azacycle - Carboxylic acid derivative - Ether - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Organic oxide - Hydrazine derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Aromatic heteropolycyclic 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