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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-(2-methoxyphenyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(2-methoxyphenyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(2-methoxyphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(2-methoxyphenyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(2-methoxyphenyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C25H29ClN2O3 MolecularWeight: 440.96236

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4=CC=CC=C4OC)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4=CC=CC=C4OC)N

InChI

InChI=1S/C25H29ClN2O3/c1-3-23(27)25(19-6-4-5-7-21(19)30-2)11-8-17(9-12-25)31-22-14-16-10-13-28-24(29)18(16)15-20(22)26/h4-7,10,13-15,17,23H,3,8-9,11-12,27H2,1-2H3,(H,28,29)