Compound Identification
SMILES
OC(=O)\C=C\C(O)=O.CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=C(C=CC(Cl)=C3)N12
InChIKey
InChIKey=XYGVIBXOJOOCFR-WLHGVMLRSA-N
Formula
C22H17ClFN3O4
Mass
441.84
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
1,4-diazepines Fluorobenzenes Unsaturated fatty acids Aryl chlorides Aryl fluorides N-substituted imidazoles Dicarboxylic acids and derivatives Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
Imidazo[1,5-a][1,4]benzodiazepine - Para-diazepine - Halobenzene - Fluorobenzene - N-substituted imidazole - Aryl chloride - Aryl fluoride - Unsaturated fatty acid - Aryl halide - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Ketimine - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Imine - Organochloride - Organohalogen compound - 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