1-(2-chloranyl-7H-purin-6-yl)-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]isonipecotamide Formula: C21H21ClFN7O MolecularWeight: 441.889143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CNC3=C2C=C(C=C3)F)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CNC3=C2C=C(C=C3)F)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C21H21ClFN7O/c22-21-28-18-17(26-11-27-18)19(29-21)30-7-4-12(5-8-30)20(31)24-6-3-13-10-25-16-2-1-14(23)9-15(13)16/h1-2,9-12,25H,3-8H2,(H,24,31)(H,26,27,28,29)