Compound Identification
SMILES
CC1=NN=C2CNC(C3=CC=CC=C3F)C3=C(C=CC(I)=C3)N12
InChIKey
InChIKey=MFXLZXFPLXYQJB-UHFFFAOYSA-N
Formula
C17H14FIN4
Mass
420.23
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
1,2,4-triazolo[4,3-a][1,4]benzodiazepines
Alternative Parents
Fluorobenzenes Aralkylamines Aryl iodides Aryl fluorides Triazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organoiodides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,2,4-triazolo[4,3-a][1,4]benzodiazepine - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl iodide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Azacycle - Secondary amine - Secondary aliphatic amine - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organoiodide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4-triazolo[4,3-a][1,4]benzodiazepines. These are aromatic compounds containing a 1,4-benzodiazepine fused to and sharing a nitrogen atom with a 1,2,4-triazole ring.
External Descriptors
Not available