Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC(O)=CC=C1
InChIKey
InChIKey=MTEXHNHGKQLPMQ-UHFFFAOYSA-N
Formula
C27H26N2O4
Mass
442.515
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 Secondary alkylarylamines Cyclohexenones Aralkylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids 1,4-diazepines Vinylogous amides Enamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Secondary aliphatic/aromatic amine - Phenol - Para-diazepine - Aralkylamine - Cyclohexenone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Ketone - Azacycle - Enamine - Ether - Secondary amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - 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