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

Systemtic Name: 2-[[2-cyclopropylcarbonyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-yl-ethanone Openeye Name: 2-[[2-(cyclopropanecarbonyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-ethanone CAS Name: 2-[[2-[cyclopropyl(oxo)methyl]-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylethanone IUPAC Name: 2-[[2-(cyclopropanecarbonyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholin-4-ylethanone Traditional Name: 2-[[2-(cyclopropanecarbonyl)-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-1-thiomorpholino-ethanone Formula: C25H27FN2O3S MolecularWeight: 454.556883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCC3=C(C2C4=CC(=CC=C4)F)C=C(C=C3)OCC(=O)N5CCSCC5

Isomeric SMILES

C1CC1C(=O)N2CCC3=C(C2C4=CC(=CC=C4)F)C=C(C=C3)OCC(=O)N5CCSCC5

InChI

InChI=1S/C25H27FN2O3S/c26-20-3-1-2-19(14-20)24-22-15-21(31-16-23(29)27-10-12-32-13-11-27)7-6-17(22)8-9-28(24)25(30)18-4-5-18/h1-3,6-7,14-15,18,24H,4-5,8-13,16H2