Compound Identification
SMILES
COC(=O)CCOC1=C(OC)C=C2C(=C1)N=C[C@@H]1CCCN1C2=O.CN1C=C(NC(=O)C2=CC(NC(=O)C3=CC(NC=O)=CN3C)=CN2C)C=C1C(=O)NCCC(N)=N
InChIKey
InChIKey=ODDCESZVGLRPTM-WUSPCOQVSA-N
Formula
C39H47N11O9
Mass
813.873
Taxonomic Classification
Taxonomy Tree
-
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
Pyrrole carboxamides Anisoles 2-heteroaryl carboxamides N-arylamides Alkyl aryl ethers N-methylpyrroles Tertiary carboxylic acid amides Pyrrolidines Heteroaromatic compounds Methyl esters Tertiary amines Secondary carboxylic acid amides Lactams Amino acids and derivatives Monocarboxylic acids and derivatives Carboximidamides Carboxamidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Imines Organic oxides
Molecular Framework
Not available
Substituents
1,4-benzodiazepine - 2-heteroaryl carboxamide - Anisole - Phenol ether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - N-methylpyrrole - Substituted pyrrole - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Pyrrolidine - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid ester - Secondary carboxylic acid amide - Lactam - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid amidine - Carboximidamide - Carboxylic acid derivative - Amidine - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Amine - Imine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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