Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C(N1CCOCC1)c1nnc2CN(Cc3ccco3)CCCn12
InChIKey
InChIKey=VEALQFOGVCZHTH-UHFFFAOYSA-N
Formula
C20H25F6N5O6
Mass
545.439
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolodiazepines
Alternative Parents
Aralkylamines Morpholines Triazoles Alpha-halocarboxylic acids Heteroaromatic compounds Furans Trialkylamines Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkyl ethers Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
Triazolo-para-diazepine - Aralkylamine - Morpholine - Oxazinane - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Furan - Heteroaromatic compound - 1,2,4-triazole - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolodiazepines. These are heterocyclic aromatic compounds containing a triazole ring fused to a diazepine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available