N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-[1-(phenylmethyl)piperidin-4-yl]ethyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Openeye Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide CAS Name: N-[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]-1-(7H-purin-6-yl)-4-piperidinecarboxamide IUPAC Name: N-[2-(1-benzylpiperidin-4-yl)ethyl]-1-(7H-purin-6-yl)piperidine-4-carboxamide Traditional Name: N-[2-(1-benzyl-4-piperidyl)ethyl]-1-(7H-purin-6-yl)isonipecotamide Formula: C25H33N7O MolecularWeight: 447.57582

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCNC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CCNC(=O)C2CCN(CC2)C3=NC=NC4=C3NC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C25H33N7O/c33-25(21-9-14-32(15-10-21)24-22-23(28-17-27-22)29-18-30-24)26-11-6-19-7-12-31(13-8-19)16-20-4-2-1-3-5-20/h1-5,17-19,21H,6-16H2,(H,26,33)(H,27,28,29,30)