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

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)butan-1-one Openeye Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)butan-1-one CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methyl-1-piperazinyl)-1-butanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazin-1-yl)butan-1-one Traditional Name: 2-[[2-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-(4-methylpiperazino)butan-1-one Formula: C28H34FN3O3 MolecularWeight: 479.586263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34FN3O3/c1-3-25(28(34)31-16-14-30(2)15-17-31)35-23-11-8-19-12-13-32(27(33)21-4-5-21)26(24(19)18-23)20-6-9-22(29)10-7-20/h6-11,18,21,25-26H,3-5,12-17H2,1-2H3