Compound Identification
SMILES
COC1=C(OCCCCOC2=C(OC)C=C3C(=C2)N=C[C@@H]2CCCN2C3=O)C=C2NC(=O)[C@@H]3CCCN3C(=O)C2=C1
InChIKey
InChIKey=AZDJLTGMHTXPDJ-MBSDFSHPSA-N
Formula
C30H34N4O7
Mass
562.623
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
Pyrrolo[2,1-c][1,4]benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Anisoles Alkyl aryl ethers Vinylogous amides Tertiary carboxylic acid amides Pyrrolidines Secondary carboxylic acid amides Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-c][1,4]benzodizepine - Alpha-amino acid or derivatives - Anisole - Alkyl aryl ether - Benzenoid - Pyrrolidine - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Imine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - 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