2-[3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]oxyethanamide

Systemtic Name: 2-[3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]oxyethanamide Openeye Name: 2-[[3-(aminomethyl)-4-(4-fluorophenyl)-2-isobutyl-1-oxo-6-isoquinolyl]oxy]acetamide CAS Name: 2-[[3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]oxy]acetamide IUPAC Name: 2-[3-(aminomethyl)-4-(4-fluorophenyl)-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]oxyacetamide Traditional Name: 2-[[3-(aminomethyl)-4-(4-fluorophenyl)-2-isobutyl-1-keto-6-isoquinolyl]oxy]acetamide Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)N)C3=CC=C(C=C3)F)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)OCC(=O)N)C3=CC=C(C=C3)F)CN

InChI

InChI=1S/C22H24FN3O3/c1-13(2)11-26-19(10-24)21(14-3-5-15(23)6-4-14)18-9-16(29-12-20(25)27)7-8-17(18)22(26)28/h3-9,13H,10-12,24H2,1-2H3,(H2,25,27)