2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-acetylpiperazin-1-yl)ethanone CAS Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-acetyl-1-piperazinyl)ethanone IUPAC Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-acetylpiperazin-1-yl)ethanone Traditional Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-acetylpiperazino)ethanone Formula: C25H28FN3O4 MolecularWeight: 453.505923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C)C=C2

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC2=CC3=C(CCN(C3C4=CC(=CC=C4)F)C(=O)C)C=C2

InChI

InChI=1S/C25H28FN3O4/c1-17(30)27-10-12-28(13-11-27)24(32)16-33-22-7-6-19-8-9-29(18(2)31)25(23(19)15-22)20-4-3-5-21(26)14-20/h3-7,14-15,25H,8-13,16H2,1-2H3