N-[(3-fluoranyloxetan-3-yl)methyl]-6-(3-piperidin-1-ylpropoxy)quinoline-2-carboxamide

Systemtic Name: N-[(3-fluoranyloxetan-3-yl)methyl]-6-(3-piperidin-1-ylpropoxy)quinoline-2-carboxamide Openeye Name: N-[(3-fluorooxetan-3-yl)methyl]-6-[3-(1-piperidyl)propoxy]quinoline-2-carboxamide CAS Name: N-[(3-fluoro-3-oxetanyl)methyl]-6-[3-(1-piperidinyl)propoxy]-2-quinolinecarboxamide IUPAC Name: N-[(3-fluorooxetan-3-yl)methyl]-6-(3-piperidin-1-ylpropoxy)quinoline-2-carboxamide Traditional Name: N-[(3-fluorooxetan-3-yl)methyl]-6-(3-piperidinopropoxy)quinaldamide Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)C(=O)NCC4(COC4)F

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)C(=O)NCC4(COC4)F

InChI

InChI=1S/C22H28FN3O3/c23-22(15-28-16-22)14-24-21(27)20-7-5-17-13-18(6-8-19(17)25-20)29-12-4-11-26-9-2-1-3-10-26/h5-8,13H,1-4,9-12,14-16H2,(H,24,27)