Compound Identification
SMILES
FC(F)(F)C1=CC(=CC(CN2CCC3=NN=C(CCN4CCOCC4)N3C(CC3=CC(Cl)=C(Cl)C=C3)C2=O)=C1)C(F)(F)F
InChIKey
InChIKey=BMWMFZCWYHPVRA-UHFFFAOYSA-N
Formula
C28H27Cl2F6N5O2
Mass
650.45
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
Trifluoromethylbenzenes Dichlorobenzenes 1,4-diazepines Aralkylamines Morpholines Aryl chlorides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Trifluoromethylbenzene - Triazolo-para-diazepine - 1,2-dichlorobenzene - Para-diazepine - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Morpholine - Benzenoid - Monocyclic benzene moiety - Oxazinane - Heteroaromatic compound - 1,2,4-triazole - Azole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Oxacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Alkyl halide - Alkyl fluoride - 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