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

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)ethanone Openeye Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)ethanone CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methyl-1-piperazinyl)ethanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)ethanone Traditional Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazino)ethanone Formula: C26H30FN3O3 MolecularWeight: 451.533103

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)COC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CC5)C=C2

Isomeric SMILES

CN1CCN(CC1)C(=O)COC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CC5)C=C2

InChI

InChI=1S/C26H30FN3O3/c1-28-12-14-29(15-13-28)24(31)17-33-22-9-6-18-10-11-30(26(32)20-2-3-20)25(23(18)16-22)19-4-7-21(27)8-5-19/h4-9,16,20,25H,2-3,10-15,17H2,1H3