2-[[2-cyclopropylcarbonyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one Openeye Name: 1-(4-allylpiperazin-1-yl)-2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propan-1-one CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enyl-1-piperazinyl)-1-propanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one Traditional Name: 1-(4-allylpiperazino)-2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]propan-1-one Formula: C29H34FN3O3 MolecularWeight: 491.596963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CC5)C=C2

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC=C)OC2=CC3=C(CCN(C3C4=CC=C(C=C4)F)C(=O)C5CC5)C=C2

InChI

InChI=1S/C29H34FN3O3/c1-3-13-31-15-17-32(18-16-31)28(34)20(2)36-25-11-8-21-12-14-33(29(35)23-4-5-23)27(26(21)19-25)22-6-9-24(30)10-7-22/h3,6-11,19-20,23,27H,1,4-5,12-18H2,2H3