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

Systemtic Name: 6-[4-(1-azanylbutyl)-4-methyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminobutyl)-4-methyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminobutyl)-4-methylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminobutyl)-4-methylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminobutyl)-4-methyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C20H27ClN2O2 MolecularWeight: 362.89358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O2/c1-3-4-18(22)20(2)8-5-14(6-9-20)25-17-11-13-7-10-23-19(24)15(13)12-16(17)21/h7,10-12,14,18H,3-6,8-9,22H2,1-2H3,(H,23,24)