Compound Identification
SMILES
CC1=NC(=CS1)C(=O)N1C(C2=C(F)C=C(OCC3=CC=CC=C3)C=C2)C2=C(CC(C)(C)CC2=O)NC2=C1C=CC=C2O
InChIKey
InChIKey=GYIGAWCRGDXXOJ-UHFFFAOYSA-N
Formula
C33H30FN3O4S
Mass
583.68
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
2-heteroaryl carboxamides Thiazolecarboxamides Phenol ethers Phenoxy compounds 1,4-diazepines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 2,4-disubstituted thiazoles Alkyl aryl ethers Cyclohexenones Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Tertiary amines Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - 2-heteroaryl carboxamide - Phenol ether - Phenoxy compound - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - Phenol - Para-diazepine - Halobenzene - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Cyclohexenone - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Vinylogous amide - Thiazole - Tertiary carboxylic acid amide - Ketone - Amino acid or derivatives - Tertiary amine - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Enamine - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organofluoride - 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