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

Systemtic Name: 6-[4-(1-azanylethyl)-4-cyclobutyl-cyclohexyl]oxy-7-chloranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminoethyl)-4-cyclobutyl-cyclohexoxy]-7-chloro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminoethyl)-4-cyclobutylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminoethyl)-4-cyclobutylcyclohexyl]oxy-7-chloro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminoethyl)-4-cyclobutyl-cyclohexoxy]-7-chloro-isocarbostyril Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4CCC4)N

Isomeric SMILES

CC(C1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)Cl)C4CCC4)N

InChI

InChI=1S/C21H27ClN2O2/c1-13(23)21(15-3-2-4-15)8-5-16(6-9-21)26-19-11-14-7-10-24-20(25)17(14)12-18(19)22/h7,10-13,15-16H,2-6,8-9,23H2,1H3,(H,24,25)