Compound Identification
SMILES
COCCOCCOCCN(CCCC(=O)ON1C(O)=CC=C1O)C1=CC(COC2=C(OC)C=C3C(=C2)N=C[C@@H]2CC4=CC=CC=C4N2C3=O)=CC(COC2=C(OC)C=C3C(=C2)N=C[C@@H]2CC4=CC=CC=C4N2C3=O)=C1
InChIKey
InChIKey=LJWDHZFNKAGTIV-COCZKOEFSA-N
Formula
C57H58N6O13
Mass
1035.12
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
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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
Indoles and derivatives Aniline and substituted anilines Anisoles Dialkylarylamines Alkyl aryl ethers Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Lactams Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Indole or derivatives - Phenol ether - Anisole - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Tertiary amine - Amino acid or derivatives - Lactam - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Imine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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