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

Systemtic Name: 1-(2-chloranyl-7H-purin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-7H-purin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]isonipecotamide Formula: C21H22ClN7O MolecularWeight: 423.89868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CNC3=CC=CC=C32)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CNC3=CC=CC=C32)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C21H22ClN7O/c22-21-27-18-17(25-12-26-18)19(28-21)29-9-6-13(7-10-29)20(30)23-8-5-14-11-24-16-4-2-1-3-15(14)16/h1-4,11-13,24H,5-10H2,(H,23,30)(H,25,26,27,28)