Compound Identification
SMILES
COC1=C(O)C=C2CCN[C@]3(CS[C@H]4C5[C@@H]6N(C)[C@@H](CC7=CC(C)=C(OC)C(O)=C67)[C@H](O)N5[C@@H](COC3=O)C3=C4C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)=C(C)C4=C3OCO4)C2=C1
InChIKey
InChIKey=UREOHFFQTDLYPO-HYWGDGRHSA-N
Formula
C41H40F7N3O11S
Mass
915.83
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzazocines
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzazocines
Intermediate Tree Nodes
Not available
Direct Parent
Benzazocines
Alternative Parents
Tetrahydroisoquinolines Perfluoroalkyl carboxylic acid and derivatives Alpha amino acids and derivatives Benzodioxoles Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines N-methylpiperazines Fatty acid esters Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Trialkylamines Carboxylic acid esters Lactones Hemiaminals Dialkylthioethers Dialkylamines Azacyclic compounds Oxacyclic compounds Acetals Polyols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzazocine - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Perfluoroalkyl carboxylic acid or derivatives - Benzodioxole - Anisole - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Piperazine - Dicarboxylic acid or derivatives - Fatty acyl - 1,4-diazinane - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Tertiary aliphatic amine - Lactone - Tertiary amine - Amino acid or derivatives - Hemiaminal - Carboxylic acid ester - Acetal - Alkanolamine - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary aliphatic amine - Dialkylthioether - Thioether - Ether - Secondary amine - Polyol - Carbonyl group - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Organopnictogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzazocines. These are organic compounds containing the benzazocine ring system, which consists of a benzene ring bound to an azocine ring.
External Descriptors
Not available