5-[(3-fluorophenyl)methoxy]-2-[[4-(2-propylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-(2-propylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-(2-propylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-[oxo-[2-(propylthio)-3-pyridinyl]methyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3-fluorophenyl)methoxy]-2-[[4-(2-propylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3-fluorobenzyl)oxy-2-[[4-[2-(propylthio)nicotinoyl]piperazino]methyl]pyran-4-one Formula: C26H28FN3O4S MolecularWeight: 497.581623

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)F

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC=C4)F

InChI

InChI=1S/C26H28FN3O4S/c1-2-13-35-25-22(7-4-8-28-25)26(32)30-11-9-29(10-12-30)16-21-15-23(31)24(18-33-21)34-17-19-5-3-6-20(27)14-19/h3-8,14-15,18H,2,9-13,16-17H2,1H3