6-[4-(1-azanylpropyl)-4-ethyl-cyclohexyl]oxy-7-fluoranyl-5-methyl-2H-isoquinolin-1-one

Systemtic Name: 6-[4-(1-azanylpropyl)-4-ethyl-cyclohexyl]oxy-7-fluoranyl-5-methyl-2H-isoquinolin-1-one Openeye Name: 6-[4-(1-aminopropyl)-4-ethyl-cyclohexoxy]-7-fluoro-5-methyl-2H-isoquinolin-1-one CAS Name: 6-[4-(1-aminopropyl)-4-ethylcyclohexyl]oxy-7-fluoro-5-methyl-2H-isoquinolin-1-one IUPAC Name: 6-[4-(1-aminopropyl)-4-ethylcyclohexyl]oxy-7-fluoro-5-methyl-2H-isoquinolin-1-one Traditional Name: 6-[4-(1-aminopropyl)-4-ethyl-cyclohexoxy]-7-fluoro-5-methyl-isocarbostyril Formula: C21H29FN2O2 MolecularWeight: 360.465563

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2C)C=CNC3=O)F)CC)N

Isomeric SMILES

CCC(C1(CCC(CC1)OC2=C(C=C3C(=C2C)C=CNC3=O)F)CC)N

InChI

InChI=1S/C21H29FN2O2/c1-4-18(23)21(5-2)9-6-14(7-10-21)26-19-13(3)15-8-11-24-20(25)16(15)12-17(19)22/h8,11-12,14,18H,4-7,9-10,23H2,1-3H3,(H,24,25)