2-(piperidin-1-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one

Systemtic Name: 2-(piperidin-1-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Openeye Name: 2-(1-piperidylmethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]pentoxy]pyran-4-one CAS Name: 2-(1-piperidinylmethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolinyl]thio]pentoxy]-4-pyranone IUPAC Name: 2-(piperidin-1-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Traditional Name: 2-(piperidinomethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]thio]pentoxy]pyran-4-one Formula: C26H29F3N2O3S MolecularWeight: 506.58027

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C26H29F3N2O3S/c27-26(28,29)19-7-8-21-22(15-19)30-10-9-25(21)35-14-6-2-5-13-33-24-18-34-20(16-23(24)32)17-31-11-3-1-4-12-31/h7-10,15-16,18H,1-6,11-14,17H2