Compound Identification
SMILES
CC1=CC2=C(NC3=C(C(N2)C2=CC(Br)=CC=C2)C(=O)CCC3)C=C1C
InChIKey
InChIKey=NCUAILNIBJDZIX-UHFFFAOYSA-N
Formula
C21H21BrN2O
Mass
397.316
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 bromides Vinylogous amides Enamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Para-diazepine - Cyclohexenone - Aralkylamine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Ketone - Secondary amine - Enamine - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organooxygen 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