Compound Identification
SMILES
COC1=C(OC)C=C2C(CC3=NNC(=O)N3N=C2C2=CC=C(Br)C=C2)=C1
InChIKey
InChIKey=CASMCTCKFTXBJO-UHFFFAOYSA-N
Formula
C18H15BrN4O3
Mass
415.247
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
Anisoles Bromobenzenes Alkyl aryl ethers 1,2-diazepines Aryl bromides Triazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolo-ortho-diazepine - Anisole - Phenol ether - Ortho-diazepine - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - 1,2,4-triazole - Ether - Azacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen 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