Compound Identification
SMILES
COC1=CC(C2=CSC(NC(=O)C3=CC(=C(C=C3)N3CCCC3)[N+]([O-])=O)=N2)=C(OC)C=C1
InChIKey
InChIKey=VTESAZDVDRAUEL-UHFFFAOYSA-N
Formula
C22H22N4O5S
Mass
454.5
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
Aminobenzoic acids and derivatives Dimethoxybenzenes Benzamides Nitrobenzenes Phenoxy compounds Aniline and substituted anilines Anisoles Benzoyl derivatives Nitroaromatic compounds Dialkylarylamines 2,4-disubstituted thiazoles Alkyl aryl ethers Pyrroles Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Aminobenzoic acid or derivatives - Dimethoxybenzene - P-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Pyrrole - Organic nitro compound - Tertiary amine - Amino acid or derivatives - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Organic salt - Amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic 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