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

Systemtic Name: 6-[4-(1-azanylpropyl)-4-methoxy-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-methoxy-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-methoxycyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-methoxycyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-methoxy-cyclohexoxy]-7-chloro-isocarbostyril Formula: C19H25ClN2O3 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O3/c1-3-17(21)19(24-2)7-4-13(5-8-19)25-16-10-12-6-9-22-18(23)14(12)11-15(16)20/h6,9-11,13,17H,3-5,7-8,21H2,1-2H3,(H,22,23)