Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(NC2C2=CC(Br)=CC=C2)C=C(Cl)C=C1
InChIKey
InChIKey=JQAAXFXGVRYFFU-UHFFFAOYSA-N
Formula
C21H20BrClN2O
Mass
431.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Secondary alkylarylamines Cyclohexenones Bromobenzenes Aralkylamines 1,4-diazepines Aryl chlorides Aryl bromides Vinylogous amides Enamines Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Para-diazepine - Cyclohexenone - Aralkylamine - Bromobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Ketone - Enamine - Secondary amine - Azacycle - Organochloride - Organobromide - Organohalogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available