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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-ethoxy-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-ethoxy-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-ethoxycyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-ethoxycyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-ethoxy-cyclohexoxy]-7-chloro-isocarbostyril Formula: C20H27ClN2O3 MolecularWeight: 378.89298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O3/c1-3-18(22)20(25-4-2)8-5-14(6-9-20)26-17-11-13-7-10-23-19(24)15(13)12-16(17)21/h7,10-12,14,18H,3-6,8-9,22H2,1-2H3,(H,23,24)