Compound Identification
SMILES
CN1N=NC2=C(N=CN2C1=O)C(N)=O.COCC(=O)O[C@]1(CCN(C)CCCC2=NC3=CC=CC=C3N2)CCC2=C(C=CC(F)=C2)[C@@H]1C(C)C
InChIKey
InChIKey=BSXTVTVDSGRANK-OCPPCWRMSA-N
Formula
C35H44FN9O5
Mass
689.793
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Benzimidazoles Imidazotetrazines 2-heteroaryl carboxamides Aralkylamines Carbonylimidazoles Tetrazines Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Primary carboxylic acid amides Trialkylamines Dialkyl ethers Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Tetralin - Benzimidazole - Imidazotetrazine - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Aralkylamine - Aryl fluoride - Aryl halide - Tetrazine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Primary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Amine - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available