Compound Identification
SMILES
COC1=C(OCCCCCOC2=CC3=C(C=C2)N=C(C)N(C3=O)C2=C(C)C=C(I)C=C2)C=C2N=C[C@@H]3CCCN3C(=O)C2=C1
InChIKey
InChIKey=SKGHLRYGVBVAEP-DEOSSOPVSA-N
Formula
C34H35IN4O5
Mass
706.581
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
Quinazolines Anisoles Toluenes Alkyl aryl ethers Pyrimidones Iodobenzenes Aryl iodides Tertiary carboxylic acid amides Pyrrolidines Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Imines Hydrocarbon derivatives Organic oxides Organoiodides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,1-c][1,4]benzodizepine - Quinazoline - Diazanaphthalene - Anisole - Halobenzene - Iodobenzene - Toluene - Pyrimidone - Alkyl aryl ether - Aryl halide - Aryl iodide - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Imine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - 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