7-chloranyl-6-[5-(ethylamino)-5-propyl-cyclooctyl]oxy-2H-isoquinolin-1-one

Systemtic Name: 7-chloranyl-6-[5-(ethylamino)-5-propyl-cyclooctyl]oxy-2H-isoquinolin-1-one Openeye Name: 7-chloro-6-[5-(ethylamino)-5-propyl-cyclooctoxy]-2H-isoquinolin-1-one CAS Name: 7-chloro-6-[5-(ethylamino)-5-propylcyclooctyl]oxy-2H-isoquinolin-1-one IUPAC Name: 7-chloro-6-[5-(ethylamino)-5-propylcyclooctyl]oxy-2H-isoquinolin-1-one Traditional Name: 7-chloro-6-[5-(ethylamino)-5-propyl-cyclooctoxy]isocarbostyril Formula: C22H31ClN2O2 MolecularWeight: 390.94674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC(CCC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)NCC

Isomeric SMILES

CCCC1(CCCC(CCC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)NCC

InChI

InChI=1S/C22H31ClN2O2/c1-3-10-22(25-4-2)11-5-7-17(8-6-12-22)27-20-14-16-9-13-24-21(26)18(16)15-19(20)23/h9,13-15,17,25H,3-8,10-12H2,1-2H3,(H,24,26)