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

Systemtic Name: N9-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-N2-(phenylmethyl)-9H-xanthene-2,9-dicarboxamide Openeye Name: N2-benzyl-N9-[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]-9H-xanthene-2,9-dicarboxamide CAS Name: N9-[1-[[(1E)-1-cyclononenyl]methyl]-4-piperidinyl]-N2-(phenylmethyl)-9H-xanthene-2,9-dicarboxamide IUPAC Name: 2-N-benzyl-9-N-[1-[[(1E)-cyclononen-1-yl]methyl]piperidin-4-yl]-9H-xanthene-2,9-dicarboxamide Traditional Name: N-benzyl-N'-[1-[[(1E)-cyclononen-1-yl]methyl]-4-piperidyl]-9H-xanthene-2,9-dicarboxamide Formula: C37H43N3O3 MolecularWeight: 577.75562

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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=C6

Isomeric SMILES

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

InChI

InChI=1S/C37H43N3O3/c41-36(38-25-27-12-8-5-9-13-27)29-18-19-34-32(24-29)35(31-16-10-11-17-33(31)43-34)37(42)39-30-20-22-40(23-21-30)26-28-14-6-3-1-2-4-7-15-28/h5,8-14,16-19,24,30,35H,1-4,6-7,15,20-23,25-26H2,(H,38,41)(H,39,42)/b28-14+