Compound Identification
SMILES
OCC1=CN=NN1C1=CC=CC(=C1)C1=NC2=C(NC(=O)C1)C=C(C(=C2)N1CCOCC1)C(F)(F)F
InChIKey
InChIKey=ZXXMAZVBWSYFIZ-UHFFFAOYSA-N
Formula
C23H21F3N6O3
Mass
486.455
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
Phenyl-1,2,3-triazoles Dialkylarylamines 1,4-diazepines Morpholines Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Aromatic alcohols Organofluorides Alkyl fluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Phenyl-1,2,3-triazole - Phenyltriazole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Para-diazepine - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,3-triazole - Amino acid or derivatives - Carboxamide group - Ketimine - Lactam - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Alkyl fluoride - Imine - Amine - Aromatic alcohol - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Primary alcohol - Organohalogen compound - Organofluoride - Organonitrogen 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