Compound Identification
SMILES
COC1=CC=CC(=C1)C1N(C(=O)NC2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C2NC2=C1C(=O)CC(C)(C)C2
InChIKey
InChIKey=PKMDQELUIHNCIJ-UHFFFAOYSA-N
Formula
C29H27Cl2N3O3
Mass
536.45
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
N-phenylureas Phenoxy compounds Methoxybenzenes Anisoles Dichlorobenzenes Secondary alkylarylamines 1,4-diazepines Alkyl aryl ethers Cyclohexenones Aryl chlorides Vinylogous amides Ureas Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - N-phenylurea - Phenoxy compound - Anisole - Methoxybenzene - 1,2-dichlorobenzene - Phenol ether - Para-diazepine - Alkyl aryl ether - Cyclohexenone - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Urea - Ketone - Secondary amine - Azacycle - Ether - Enamine - Organohalogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - 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