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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-[3,5-bis(fluoranyl)phenyl]cyclohexyl]oxy-7-fluoranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(3,5-difluorophenyl)cyclohexoxy]-7-fluoro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(3,5-difluorophenyl)cyclohexyl]oxy-7-fluoro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(3,5-difluorophenyl)cyclohexyl]oxy-7-fluoro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(3,5-difluorophenyl)cyclohexoxy]-7-fluoro-isocarbostyril Formula: C24H25F3N2O2 MolecularWeight: 430.46271

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25F3N2O2/c1-2-22(28)24(15-10-16(25)12-17(26)11-15)6-3-18(4-7-24)31-21-9-14-5-8-29-23(30)19(14)13-20(21)27/h5,8-13,18,22H,2-4,6-7,28H2,1H3,(H,29,30)