Compound Identification
SMILES
CC1(C)CC(=O)C2=C(C1)NC1=C(NC2C2=C(Cl)C=C(OCC3=CC=CC=C3)C=C2)C=CC=C1O
InChIKey
InChIKey=YQVYNYQACLTQCA-UHFFFAOYSA-N
Formula
C28H27ClN2O3
Mass
474.99
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
Phenol ethers Phenoxy compounds 1,4-diazepines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Aralkylamines Chlorobenzenes Cyclohexenones Secondary alkylarylamines Aryl chlorides Vinylogous amides Azacyclic compounds Enamines Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - Para-diazepine - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Aralkylamine - Cyclohexenone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous amide - Ketone - Secondary amine - Azacycle - Enamine - Ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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