Compound Identification
SMILES
CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cc(N5CCCC5)c(cc4Cl)C#N)sc3c2)CC1
InChIKey
InChIKey=LYDCAFZYUYDFDM-UHFFFAOYSA-N
Formula
C28H32ClN7O4S2
Mass
630.18
Taxonomic Classification
Taxonomy Tree
-
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
2-halobenzoic acids and derivatives Aminobenzamides Benzothiazoles Aniline and substituted anilines Benzonitriles Benzoyl derivatives Dialkylarylamines Chlorobenzenes N-methylpiperazines Aryl chlorides Vinylogous halides Thiazoles Sulfones Pyrroles Heteroaromatic compounds Trialkylamines Ureas Amino acids and derivatives Azacyclic compounds Nitriles Carbonyl compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Aminobenzamide - Aminobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - 1,3-benzothiazole - Benzonitrile - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - N-methylpiperazine - Halobenzene - Chlorobenzene - N-alkylpiperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Piperazine - Vinylogous halide - Heteroaromatic compound - Azole - Thiazole - Sulfonyl - Pyrrole - Sulfone - Carbonic acid derivative - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Urea - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Organohalogen compound - Organic oxide - Amine - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - 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