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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC(=NC3=C2NC=N3)Cl)C(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H22ClN7O/c22-21-27-18-17(25-12-26-18)19(28-21)29-9-3-4-14(11-29)20(30)23-8-7-13-10-24-16-6-2-1-5-15(13)16/h1-2,5-6,10,12,14,24H,3-4,7-9,11H2,(H,23,30)(H,25,26,27,28)/t14-/m0/s1