Compound Identification
SMILES
CC1=CC2=C(NC(=O)C=C(N2)C2=CC=CC(=C2)C2=NC(CO)=CS2)C=C1C(F)(F)F
InChIKey
InChIKey=QNEBQXYWHCGRKC-UHFFFAOYSA-N
Formula
C21H16F3N3O2S
Mass
431.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Diaminotoluenes 1,4-diazepines 2,4-disubstituted thiazoles Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Enamines Organic oxides Carbonyl compounds Primary alcohols Aromatic alcohols Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Diaminotoluene - Para-diazepine - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Azole - Thiazole - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Enamine - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Alkyl halide - Aromatic alcohol - Alcohol - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available