6-[4-(1-azanylpropyl)-4-(4-fluorophenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanylpropyl)-4-(4-fluorophenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(4-fluorophenyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(4-fluorophenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(4-fluorophenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(4-fluorophenyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C24H26ClFN2O2 MolecularWeight: 428.926843

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)N

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClFN2O2/c1-2-22(27)24(16-3-5-17(26)6-4-16)10-7-18(8-11-24)30-21-13-15-9-12-28-23(29)19(15)14-20(21)25/h3-6,9,12-14,18,22H,2,7-8,10-11,27H2,1H3,(H,28,29)