6-[4-(1-azanylpropyl)-4-[3,4-bis(fluoranyl)phenyl]cyclohexyl]oxy-7-fluoranyl-5-methyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanylpropyl)-4-[3,4-bis(fluoranyl)phenyl]cyclohexyl]oxy-7-fluoranyl-5-methyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(3,4-difluorophenyl)cyclohexoxy]-7-fluoro-5-methyl-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(3,4-difluorophenyl)cyclohexyl]oxy-7-fluoro-5-methyl-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(3,4-difluorophenyl)cyclohexyl]oxy-7-fluoro-5-methyl-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(3,4-difluorophenyl)cyclohexoxy]-7-fluoro-5-methyl-isocarbostyril Formula: C25H27F3N2O2 MolecularWeight: 444.48929

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2C)C=CNC3=O)F)C4=CC(=C(C=C4)F)F)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2C)C=CNC3=O)F)C4=CC(=C(C=C4)F)F)N

InChI

InChI=1S/C25H27F3N2O2/c1-3-22(29)25(15-4-5-19(26)20(27)12-15)9-6-16(7-10-25)32-23-14(2)17-8-11-30-24(31)18(17)13-21(23)28/h4-5,8,11-13,16,22H,3,6-7,9-10,29H2,1-2H3,(H,30,31)