3-[5-ethylsulfanyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]-1H-pyridin-4-one

Systemtic Name: 3-[5-ethylsulfanyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]-1H-pyridin-4-one Openeye Name: 3-[5-ethylsulfanyl-2-[4-(2-quinolylmethoxy)-1-piperidyl]phenyl]-1H-pyridin-4-one CAS Name: 3-[5-(ethylthio)-2-[4-(2-quinolinylmethoxy)-1-piperidinyl]phenyl]-1H-pyridin-4-one IUPAC Name: 3-[5-ethylsulfanyl-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]-1H-pyridin-4-one Traditional Name: 3-[5-(ethylthio)-2-[4-(2-quinolylmethoxy)piperidino]phenyl]-4-pyridone Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)N2CCC(CC2)OCC3=NC4=CC=CC=C4C=C3)C5=CNC=CC5=O

Isomeric SMILES

CCSC1=CC(=C(C=C1)N2CCC(CC2)OCC3=NC4=CC=CC=C4C=C3)C5=CNC=CC5=O

InChI

InChI=1S/C28H29N3O2S/c1-2-34-23-9-10-27(24(17-23)25-18-29-14-11-28(25)32)31-15-12-22(13-16-31)33-19-21-8-7-20-5-3-4-6-26(20)30-21/h3-11,14,17-18,22H,2,12-13,15-16,19H2,1H3,(H,29,32)