Compound Identification
SMILES
COC12C[C@@]3([C@@H](NC4=CC=CC=C34)N1C(=O)\C(NC2=O)=C/C1=CN=CN1)C(C)(C)C=C
InChIKey
InChIKey=VBCVNTFADLECCP-UINVOOSUSA-N
Formula
C23H25N5O3
Mass
419.485
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Pyrroloindoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyrroloindoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloindoles
Alternative Parents
Alpha amino acids and derivatives Indoles Indolines 2,5-dioxopiperazines Secondary alkylarylamines N-alkylpiperazines Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Pyrrolidines Pyrroles Tertiary amines Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloindole - Alpha-amino acid or derivatives - Indole - Dihydroindole - Dioxopiperazine - 2,5-dioxopiperazine - Secondary aliphatic/aromatic amine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Azole - Imidazole - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Lactam - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors
Not available