6-[1-fluoranyl-3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[1-fluoranyl-3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[1-fluoro-3-[4-(2-methyl-5-quinolyl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-fluoro-3-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]propyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[1-fluoro-3-[4-(2-methylquinolin-5-yl)piperazin-1-yl]propyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[1-fluoro-3-[4-(2-methyl-5-quinolyl)piperazino]propyl]-4H-1,4-benzoxazin-3-one Formula: C25H27FN4O2 MolecularWeight: 434.505883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC(C4=CC5=C(C=C4)OCC(=O)N5)F

Isomeric SMILES

CC1=NC2=C(C=C1)C(=CC=C2)N3CCN(CC3)CCC(C4=CC5=C(C=C4)OCC(=O)N5)F

InChI

InChI=1S/C25H27FN4O2/c1-17-5-7-19-21(27-17)3-2-4-23(19)30-13-11-29(12-14-30)10-9-20(26)18-6-8-24-22(15-18)28-25(31)16-32-24/h2-8,15,20H,9-14,16H2,1H3,(H,28,31)