Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=C(C=CC(=C3)[N+]([O-])=O)N3CCCC3)C(=O)N2C1C1=CC=C(C=C1)C(C)C
InChIKey
InChIKey=ZKRKJOOKNVKXTA-UHFFFAOYSA-N
Formula
C30H32N4O5S
Mass
560.67
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
Aromatic monoterpenoids Bicyclic monoterpenoids Phenylpropanes Cumenes Nitrobenzenes Aniline and substituted anilines Dialkylarylamines Nitroaromatic compounds Thiazoles Pyrroles Enoate esters Heteroaromatic compounds Amino acids and derivatives Lactams Isothioureas Monocarboxylic acids and derivatives Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Organic salts Hydrocarbon derivatives Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - P-cymene - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Cumene - Nitrobenzene - Phenylpropane - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Pyrrole - Heteroaromatic compound - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azole - C-nitro compound - Tertiary amine - Lactam - Organic nitro compound - Isothiourea - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic oxygen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available