Compound Identification
SMILES
C[C@@H]1CC2=CC3=C(OCO3)C=C2C(=NN1C1=NC=CC(=N1)C(F)(F)F)C1=CC=C(N)C=C1
InChIKey
InChIKey=GSWOHJMELNOSOD-GFCCVEGCSA-N
Formula
C22H18F3N5O2
Mass
441.414
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
Benzodioxoles Aniline and substituted anilines Pyrimidines and pyrimidine derivatives Primary aromatic amines Heteroaromatic compounds Oxacyclic compounds Hydrazones Azacyclic compounds Acetals Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Benzodioxole - Aniline or substituted anilines - Monocyclic benzene moiety - Primary aromatic amine - Pyrimidine - Benzenoid - Heteroaromatic compound - Acetal - Hydrazone - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Alkyl halide - Amine - 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