Compound Identification
SMILES
CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(C2=CC=CC=C2)C2=C(C=C(CCSCCN)C=C2)C1=O
InChIKey
InChIKey=HNQIXRZXGBBCPF-UHFFFAOYSA-N
Formula
C25H26F3N3O5S
Mass
537.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Benzene and substituted derivatives Dicarboxylic acids and derivatives Vinylogous amides Carboxylic acid anhydrides Alpha-halocarboxylic acid derivatives Tertiary carboxylic acid amides Lactams Dialkylthioethers Azacyclic compounds Sulfenyl compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Vinylogous amide - Alpha-halocarboxylic acid derivative - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid or derivatives - Carboxylic acid anhydride - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic oxide - Primary aliphatic amine - Organohalogen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alkyl fluoride - Organosulfur compound - Amine - Primary amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available