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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-(propan-2-yloxymethyl)cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-(isopropoxymethyl)cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-(propan-2-yloxymethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-(propan-2-yloxymethyl)cyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-(isopropoxymethyl)cyclohexoxy]-7-chloro-isocarbostyril Formula: C22H31ClN2O3 MolecularWeight: 406.94614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)COC(C)C)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)COC(C)C)N

InChI

InChI=1S/C22H31ClN2O3/c1-4-20(24)22(13-27-14(2)3)8-5-16(6-9-22)28-19-11-15-7-10-25-21(26)17(15)12-18(19)23/h7,10-12,14,16,20H,4-6,8-9,13,24H2,1-3H3,(H,25,26)