1-(5-fluoranyl-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 1-(5-fluoranyl-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-one Openeye Name: 1-(5-fluorobenzothiophen-3-yl)-3-[4-(2-methyl-8-quinolyl)piperazin-1-yl]propan-1-one CAS Name: 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methyl-8-quinolinyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(5-fluoro-1-benzothiophen-3-yl)-3-[4-(2-methylquinolin-8-yl)piperazin-1-yl]propan-1-one Traditional Name: 1-(5-fluorobenzothiophen-3-yl)-3-[4-(2-methyl-8-quinolyl)piperazino]propan-1-one Formula: C25H24FN3OS MolecularWeight: 433.540963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2N3CCN(CC3)CCC(=O)C4=CSC5=C4C=C(C=C5)F)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2N3CCN(CC3)CCC(=O)C4=CSC5=C4C=C(C=C5)F)C=C1

InChI

InChI=1S/C25H24FN3OS/c1-17-5-6-18-3-2-4-22(25(18)27-17)29-13-11-28(12-14-29)10-9-23(30)21-16-31-24-8-7-19(26)15-20(21)24/h2-8,15-16H,9-14H2,1H3