Compound Identification
SMILES
CC(=O)C1=C(O)C(=O)N(CC[NH+]2CC[NH2+]CC2)C1C1=CC=CC=C1
InChIKey
InChIKey=HANYVJWQPZBKGC-UHFFFAOYSA-P
Formula
C18H25N3O3
Mass
331.415
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
N-alkylpiperazines Benzene and substituted derivatives Vinylogous acids Pyrroles Quaternary ammonium salts Tertiary carboxylic acid amides Trialkylamines Lactams Ketones Amino acids and derivatives Enols Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Vinylogous acid - Tertiary carboxylic acid amide - Quaternary ammonium salt - Pyrrole - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Ketone - Lactam - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Enol - Secondary amine - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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