N9-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-N2-(pyridin-3-ylmethyl)-9H-xanthene-2,9-dicarboxamide

Systemtic Name: N9-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-N2-(pyridin-3-ylmethyl)-9H-xanthene-2,9-dicarboxamide Openeye Name: N9-[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]-N2-(3-pyridylmethyl)-9H-xanthene-2,9-dicarboxamide CAS Name: N9-[1-[[(1E)-1-cyclononenyl]methyl]-4-piperidinyl]-N2-(3-pyridinylmethyl)-9H-xanthene-2,9-dicarboxamide IUPAC Name: 9-N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-2-N-(pyridin-3-ylmethyl)-9H-xanthene-2,9-dicarboxamide Traditional Name: N'-[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]-N-(3-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=CN=CC=C6

Isomeric SMILES

C1CCC/C=C(\CCC1)/CN2CCC(CC2)NC(=O)C3C4=CC=CC=C4OC5=C3C=C(C=C5)C(=O)NCC6=CN=CC=C6

InChI

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