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

Systemtic Name: N-[2-(5-chloranyl-1H-indol-3-yl)ethyl]-1-(2-chloranyl-7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(2-chloro-7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(2-chloro-7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-(2-chloro-7H-purin-6-yl)isonipecotamide Formula: C21H21Cl2N7O MolecularWeight: 458.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N7O/c22-14-1-2-16-15(9-14)13(10-25-16)3-6-24-20(31)12-4-7-30(8-5-12)19-17-18(27-11-26-17)28-21(23)29-19/h1-2,9-12,25H,3-8H2,(H,24,31)(H,26,27,28,29)