Compound Identification
SMILES
CC1=CC(NC(=O)NC2N=C(C3=CC=CC=C3)C3=CC=CC=C3N(CC(=O)N3CC[N+](C)(C)CC3)C2=O)=CC=C1
InChIKey
InChIKey=UJBKKXYOOAEDBJ-UHFFFAOYSA-O
Formula
C31H35N6O3
Mass
539.659
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
-
Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
N-phenylureas Alpha amino acids and derivatives Toluenes N-methylpiperazines Tetraalkylammonium salts Tertiary carboxylic acid amides Ureas Lactams Ketimines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Toluene - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Imine - Amine - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available