Compound Identification
SMILES
CC(=O)N1CCC2(CC1)OC1=CC=CC=C1C1CC(=NN21)C1=CC=C(Br)C=C1
InChIKey
InChIKey=JOYMDOYGMAVDMT-UHFFFAOYSA-N
Formula
C22H22BrN3O2
Mass
440.341
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazines
Alternative Parents
N-acylpiperidines Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Pyrazolines Acetamides Oxacyclic compounds Hydrazones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazine - N-acyl-piperidine - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Acetamide - Tertiary carboxylic acid amide - Pyrazoline - Carboxamide group - Carboxylic acid derivative - Azacycle - Oxacycle - Hydrazone - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors
Not available