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

Systemtic Name: 6-[4-(1-azanylethyl)-4-ethyl-cyclohexyl]oxy-7-fluoranyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminoethyl)-4-ethyl-cyclohexoxy]-7-fluoro-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminoethyl)-4-ethylcyclohexyl]oxy-7-fluoro-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminoethyl)-4-ethylcyclohexyl]oxy-7-fluoro-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminoethyl)-4-ethyl-cyclohexoxy]-7-fluoro-isocarbostyril Formula: C19H25FN2O2 MolecularWeight: 332.412403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)F)C(C)N

Isomeric SMILES

CCC1(CCC(CC1)OC2=C(C=C3C(=C2)C=CNC3=O)F)C(C)N

InChI

InChI=1S/C19H25FN2O2/c1-3-19(12(2)21)7-4-14(5-8-19)24-17-10-13-6-9-22-18(23)15(13)11-16(17)20/h6,9-12,14H,3-5,7-8,21H2,1-2H3,(H,22,23)