Compound Identification
SMILES
CO[C@H]1NC2=CC(OC(C)=O)=C(OC)C=C2C(=O)N2CC(C[C@@H]12)OC(C)=O
InChIKey
InChIKey=KVFIUHILPKEUGH-IBMBOUKDSA-N
Formula
C18H22N2O7
Mass
378.381
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
Pyrrolo[2,1-c][1,4]benzodiazepines
Alternative Parents
Anisoles Secondary alkylarylamines Alkyl aryl ethers Dicarboxylic acids and derivatives Vinylogous amides Tertiary carboxylic acid amides Pyrrolidines Lactams Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-c][1,4]benzodizepine - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Ether - Carboxylic acid derivative - Secondary amine - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,1-c][1,4]benzodiazepines. These are heterocyclic aromatic compounds containing a 1,4-benzodiazepine ring system that is fused to, and shared a nitrogen atom with a pyrrole ring.
External Descriptors
Not available