Compound Identification
SMILES
CN(C)CCN(C(=O)OC(C)(C)C)C1=N[C@@H](NC(=O)NC2=CC=CC(C)=C2)C(=O)N(C)C2=CC=CC=C12
InChIKey
InChIKey=WGOOUPDDPRGSTQ-QFIPXVFZSA-N
Formula
C27H36N6O4
Mass
508.623
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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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 Tertiary carboxylic acid amides Carbamate esters Ureas Trialkylamines Lactams Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - N-phenylurea - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Carbamic acid ester - Amino acid or derivatives - Carboxamide group - Lactam - Tertiary amine - Urea - Tertiary aliphatic amine - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - 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