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

Systemtic Name: 2-(piperazin-1-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Openeye Name: 2-(piperazin-1-ylmethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]pentoxy]pyran-4-one CAS Name: 2-(1-piperazinylmethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolinyl]thio]pentoxy]-4-pyranone IUPAC Name: 2-(piperazin-1-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one Traditional Name: 2-(piperazinomethyl)-5-[5-[[7-(trifluoromethyl)-4-quinolyl]thio]pentoxy]pyran-4-one Formula: C25H28F3N3O3S MolecularWeight: 507.56833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1)CC2=CC(=O)C(=CO2)OCCCCCSC3=C4C=CC(=CC4=NC=C3)C(F)(F)F

InChI

InChI=1S/C25H28F3N3O3S/c26-25(27,28)18-4-5-20-21(14-18)30-7-6-24(20)35-13-3-1-2-12-33-23-17-34-19(15-22(23)32)16-31-10-8-29-9-11-31/h4-7,14-15,17,29H,1-3,8-13,16H2