Compound Identification
SMILES
COC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC(OC)=C(Br)C=C1OC
InChIKey
InChIKey=LSMDKTCGZNSBQS-UHFFFAOYSA-N
Formula
C28H27BrN2O4
Mass
535.438
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
Dimethoxybenzenes Phenoxy compounds Anisoles 1,4-diazepines Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Bromobenzenes Cyclohexenones Aryl bromides Vinylogous amides Azacyclic compounds Enamines Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Dimethoxybenzene - P-dimethoxybenzene - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Cyclohexenone - Halobenzene - Alkyl aryl ether - Para-diazepine - Aralkylamine - Bromobenzene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Vinylogous amide - Ketone - Enamine - Ether - Azacycle - Secondary amine - Organic oxide - Carbonyl group - Organohalogen compound - Organic nitrogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxygen 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