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

Systemtic Name: (3S)-1-(2-chloranyl-7H-purin-6-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(2-chloro-7H-purin-6-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]nipecotamide Formula: C22H24ClN7O2 MolecularWeight: 453.92466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC(=O)C3CCCN(C3)C4=NC(=NC5=C4NC=N5)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=O)[C@H]3CCCN(C3)C4=NC(=NC5=C4NC=N5)Cl

InChI

InChI=1S/C22H24ClN7O2/c1-32-15-4-5-17-16(9-15)13(10-25-17)6-7-24-21(31)14-3-2-8-30(11-14)20-18-19(27-12-26-18)28-22(23)29-20/h4-5,9-10,12,14,25H,2-3,6-8,11H2,1H3,(H,24,31)(H,26,27,28,29)/t14-/m0/s1