2-(3-chloranyl-4-fluoranyl-phenyl)-N-[2-(2-methyl-1-oxidanyl-propan-2-yl)-1-oxidanylidene-isoquinolin-5-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)N1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(CO)N1C=CC2=C(C1=O)C=CC=C2NC(=O)CC3=CC(=C(C=C3)F)Cl

InChI

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