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

Systemtic Name: 2-[[2-ethanoyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)ethanone Openeye Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-allylpiperazin-1-yl)ethanone CAS Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enyl-1-piperazinyl)ethanone IUPAC Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)ethanone Traditional Name: 2-[[2-acetyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-allylpiperazino)ethanone Formula: C26H30FN3O3 MolecularWeight: 451.533103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC(=O)N4CCN(CC4)CC=C

Isomeric SMILES

CC(=O)N1CCC2=C(C1C3=CC(=CC=C3)F)C=C(C=C2)OCC(=O)N4CCN(CC4)CC=C

InChI

InChI=1S/C26H30FN3O3/c1-3-10-28-12-14-29(15-13-28)25(32)18-33-23-8-7-20-9-11-30(19(2)31)26(24(20)17-23)21-5-4-6-22(27)16-21/h3-8,16-17,26H,1,9-15,18H2,2H3