2-(4-chloranyl-3-fluoranyl-phenyl)-N-[6-methyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(4-chloranyl-3-fluoranyl-phenyl)-N-[6-methyl-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinolin-5-yl]ethanamide Openeye Name: 2-(4-chloro-3-fluoro-phenyl)-N-[2-[(1R)-2-hydroxy-1-methyl-ethyl]-6-methyl-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(4-chloro-3-fluorophenyl)-N-[2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(4-chloro-3-fluorophenyl)-N-[2-[(2R)-1-hydroxypropan-2-yl]-6-methyl-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(4-chloro-3-fluoro-phenyl)-N-[2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-6-methyl-5-isoquinolyl]acetamide Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(C=C2)C(C)CO)NC(=O)CC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(C=C2)[C@H](C)CO)NC(=O)CC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C21H20ClFN2O3/c1-12-3-5-16-15(7-8-25(21(16)28)13(2)11-26)20(12)24-19(27)10-14-4-6-17(22)18(23)9-14/h3-9,13,26H,10-11H2,1-2H3,(H,24,27)/t13-/m1/s1