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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-[3,5-bis(fluoranyl)phenyl]cyclohexyl]oxy-7-methoxy-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(3,5-difluorophenyl)cyclohexoxy]-7-methoxy-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(3,5-difluorophenyl)cyclohexyl]oxy-7-methoxy-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(3,5-difluorophenyl)cyclohexyl]oxy-7-methoxy-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(3,5-difluorophenyl)cyclohexoxy]-7-methoxy-isocarbostyril Formula: C25H28F2N2O3 MolecularWeight: 442.498226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)OC)C4=CC(=CC(=C4)F)F)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)OC)C4=CC(=CC(=C4)F)F)N

InChI

InChI=1S/C25H28F2N2O3/c1-3-23(28)25(16-11-17(26)13-18(27)12-16)7-4-19(5-8-25)32-22-10-15-6-9-29-24(30)20(15)14-21(22)31-2/h6,9-14,19,23H,3-5,7-8,28H2,1-2H3,(H,29,30)