Compound Identification
SMILES
COC(=O)C1=C(NC2=C(OC(=O)N3CCN(C)CC3)C=C3N(C[C@@H](CBr)C3=C12)C(=O)C1=CC2=CC(OC)=C(OC)C(OC)=C2N1)C(F)(F)F
InChIKey
InChIKey=DXCPYSWTLLHPHO-MRXNPFEDSA-N
Formula
C32H33BrF3N5O8
Mass
752.542
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Pyrroloindoles
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Class
Indoles and derivatives
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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
Indolecarboxamides and derivatives Piperazine carboxylic acids Indoles Pyrrole carboxamides 2-heteroaryl carboxamides Anisoles Alkyl aryl ethers N-methylpiperazines Substituted pyrroles Vinylogous amides Tertiary carboxylic acid amides Methyl esters Carbamate esters Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides Alkyl fluorides Alkyl bromides Organobromides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloindole - Indolecarboxylic acid derivative - Indolecarboxamide derivative - Piperazine-1-carboxylic acid - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Phenol ether - Anisole - N-methylpiperazine - N-alkylpiperazine - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Piperazine - 1,4-diazinane - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrole - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organobromide - Alkyl bromide - Organofluoride - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Alkyl halide - Organonitrogen compound - Organic nitrogen compound - Amine - Organohalogen 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