Compound Identification
SMILES
C[C@H]1CN2C(OS(=O)(=O)C(F)(F)F)=NC3=C2C(CN1CC=C(C)C)=C(C=C3)C#N
InChIKey
InChIKey=AWXZTVUPXZVWDX-LBPRGKRZSA-N
Formula
C18H19F3N4O3S
Mass
428.43
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
Benzimidazoles Trifluoromethanesulfonates 1,4-diazepines Aralkylamines Benzenoids N-substituted imidazoles Organosulfonic acid esters Sulfonic acid esters Methanesulfonates Heteroaromatic compounds Sulfonyls Trihalomethanes Trialkylamines Nitriles Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Benzimidazole - Trifluoromethanesulfonate - Para-diazepine - Aralkylamine - N-substituted imidazole - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Trihalomethane - Azacycle - Carbonitrile - Nitrile - Organonitrogen compound - Organofluoride - Organohalogen compound - Cyanide - Organic oxide - Organic nitrogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Halomethane - Alkyl halide - Amine - Organooxygen compound - Organosulfur 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