N9-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-N2-(pyridin-2-ylmethyl)-9H-xanthene-2,9-dicarboxamide

Systemtic Name: N9-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-N2-(pyridin-2-ylmethyl)-9H-xanthene-2,9-dicarboxamide Openeye Name: N9-[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]-N2-(2-pyridylmethyl)-9H-xanthene-2,9-dicarboxamide CAS Name: N9-[1-[[(1E)-1-cyclononenyl]methyl]-4-piperidinyl]-N2-(2-pyridinylmethyl)-9H-xanthene-2,9-dicarboxamide IUPAC Name: 9-N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-2-N-(pyridin-2-ylmethyl)-9H-xanthene-2,9-dicarboxamide Traditional Name: N'-[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]-N-(2-pyridylmethyl)-9H-xanthene-2,9-dicarboxamide Formula: C36H42N4O3 MolecularWeight: 578.74368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC=C(CCC1)CN2CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=C3C=C(C=C5)C(=O)NCC6=CC=CC=N6

Isomeric SMILES

C1CCC/C=C(\CCC1)/CN2CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=C3C=C(C=C5)C(=O)NCC6=CC=CC=N6

InChI

InChI=1S/C36H42N4O3/c41-35(38-24-29-13-9-10-20-37-29)27-16-17-33-31(23-27)34(30-14-7-8-15-32(30)43-33)36(42)39-28-18-21-40(22-19-28)25-26-11-5-3-1-2-4-6-12-26/h7-11,13-17,20,23,28,34H,1-6,12,18-19,21-22,24-25H2,(H,38,41)(H,39,42)/b26-11+