Compound Identification
SMILES
CN(C)CCCN1NC2=CC(=O)N(C3=CC=CC=C3)C3=C(C=CC(Br)=C3)N2C1=O
InChIKey
InChIKey=GWEHAEDUJCLUJZ-UHFFFAOYSA-N
Formula
C21H22BrN5O2
Mass
456.344
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
1,4-diazepines Aryl bromides Benzene and substituted derivatives Vinylogous amides Triazolidinones Tertiary carboxylic acid amides Semicarbazides Acrylic acids and derivatives Trialkylamines Amino acids and derivatives Lactams Ketene acetals Azacyclic compounds Organobromides Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolo-para-diazepine - Para-diazepine - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Benzenoid - Semicarbazide - Tertiary carboxylic acid amide - Triazolidine - 1,2,4-triazolidinone - Acrylic acid or derivatives - Vinylogous amide - Ketene acetal or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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