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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-(4-fluoranyl-3-methoxy-phenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(4-fluoro-3-methoxy-phenyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(4-fluoro-3-methoxyphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(4-fluoro-3-methoxyphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(4-fluoro-3-methoxy-phenyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C25H28ClFN2O3 MolecularWeight: 458.952823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClFN2O3/c1-3-23(28)25(16-4-5-20(27)22(13-16)31-2)9-6-17(7-10-25)32-21-12-15-8-11-29-24(30)18(15)14-19(21)26/h4-5,8,11-14,17,23H,3,6-7,9-10,28H2,1-2H3,(H,29,30)