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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-[3,4-bis(fluoranyl)phenyl]cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(3,4-difluorophenyl)cyclohexoxy]-7-methyl-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(3,4-difluorophenyl)cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(3,4-difluorophenyl)cyclohexyl]oxy-7-methyl-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(3,4-difluorophenyl)cyclohexoxy]-7-methyl-isocarbostyril Formula: C25H28F2N2O2 MolecularWeight: 426.498826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28F2N2O2/c1-3-23(28)25(17-4-5-20(26)21(27)14-17)9-6-18(7-10-25)31-22-13-16-8-11-29-24(30)19(16)12-15(22)2/h4-5,8,11-14,18,23H,3,6-7,9-10,28H2,1-2H3,(H,29,30)