Compound Identification
SMILES
CCOC(=O)C(\N=NC1=CC=C(Cl)C=C1)=C1\CNN2C(=NN(C3=CC=C(Cl)C=C3)C2(C)C=C1C)C(=O)OCC
InChIKey
InChIKey=ASFSQDWBEHRQIL-DHIWYGQASA-N
Formula
C27H28Cl2N6O4
Mass
571.46
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
Alpha amino acids and derivatives 1,2-diazepines Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Imidolactams Enoate esters Triazolines Azo compounds Amidrazones Hydrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Triazolo-ortho-diazepine - Ortho-diazepine - Halobenzene - Chlorobenzene - Dicarboxylic acid or derivatives - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Imidolactam - Aryl halide - Alpha,beta-unsaturated carboxylic ester - Triazoline - Enoate ester - Carboxylic acid amidrazone - Carboxylic acid ester - Azo compound - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Hydrazone - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - 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