Compound Identification
SMILES
FC(F)(F)C(=O)OC1=CC=CC2=C1C(=O)N1C[C@H](CC[C@H]1CN2)C1=N\C(NO1)=C1/C=C(Cl)C=N1
InChIKey
InChIKey=YFXIIQCWLSQSHB-QFJZEXEDSA-N
Formula
C21H17ClF3N5O4
Mass
495.84
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
-
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
Phenol esters Piperidinecarboxamides Secondary alkylarylamines Vinylogous amides Alpha-halocarboxylic acid derivatives Tertiary carboxylic acid amides Amino acids and derivatives Carboxylic acid esters Lactams Monocarboxylic acids and derivatives Chloroalkenes Vinyl chlorides Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic oxides Alkyl fluorides Imines Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Phenol ester - 3-piperidinecarboxamide - Piperidinecarboxamide - Secondary aliphatic/aromatic amine - Piperidine - Benzenoid - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Haloalkene - Secondary amine - Chloroalkene - Azacycle - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Vinyl halide - Vinyl chloride - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Imine - Organic nitrogen compound - Organofluoride - Alkyl halide - Carbonyl group - Alkyl fluoride - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - 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