Compound Identification
SMILES
[O-][N+]1=C(C2=CC=CC=C2F)C2=C(C=CC(Cl)=C2)N2C=NC(N3CCOCC3)=C2C1
InChIKey
InChIKey=KTOKJJQOTQLLIW-UHFFFAOYSA-N
Formula
C21H18ClFN4O2
Mass
412.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Imidazo[1,5-a][1,4]benzodiazepines
Alternative Parents
Dialkylarylamines 1,4-diazepines Fluorobenzenes Aminoimidazoles Aryl chlorides Aryl fluorides N-substituted imidazoles Morpholines Imidolactams Heteroaromatic compounds Nitrones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organochlorides Organofluorides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazo[1,5-a][1,4]benzodiazepine - Dialkylarylamine - Para-diazepine - Fluorobenzene - Halobenzene - Aminoimidazole - Monocyclic benzene moiety - Oxazinane - Benzenoid - Morpholine - Aryl fluoride - Imidolactam - Aryl halide - N-substituted imidazole - Aryl chloride - Heteroaromatic compound - Azole - Imidazole - Nitrone - Ether - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazo[1,5-a][1,4]benzodiazepines. These are compounds containing an imidazole ring and a 1,4-benzodiazepine ring system, both sharing one nitrogen atom.
External Descriptors
Not available