Compound Identification
SMILES
OC(=O)C(F)(F)F.ClC1=CC=C(S1)C(=O)N1CC2=CC=CC=C2N(CC2CCN(CC2)C2=CC=NC=C2)C(=O)C1
InChIKey
InChIKey=IEDOKNFUGQPTTJ-UHFFFAOYSA-N
Formula
C27H26ClF3N4O4S
Mass
595.03
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
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
Alpha amino acids and derivatives Thiophene carboxamides 2-heteroaryl carboxamides Dialkylarylamines 2,5-disubstituted thiophenes Aminopyridines and derivatives Benzenoids Aryl chlorides Piperidines Heteroaromatic compounds Tertiary carboxylic acid amides Alpha-halocarboxylic acids Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aminopyridine - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Piperidine - Pyridine - Benzenoid - Tertiary carboxylic acid amide - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Thiophene - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organofluoride - Carbonyl group - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - 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