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

Systemtic Name: 6-chloranyl-N-[(4-chloranyl-3-fluoranyl-phenyl)methyl]-1-oxidanylidene-2-[(2R)-1-oxidanylpropan-2-yl]isoquinoline-5-carboxamide Openeye Name: 6-chloro-N-[(4-chloro-3-fluoro-phenyl)methyl]-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-oxo-isoquinoline-5-carboxamide CAS Name: 6-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-1-oxo-5-isoquinolinecarboxamide IUPAC Name: 6-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-1-oxoisoquinoline-5-carboxamide Traditional Name: 6-chloro-N-(4-chloro-3-fluoro-benzyl)-2-[(1R)-2-hydroxy-1-methyl-ethyl]-1-keto-isoquinoline-5-carboxamide Formula: C20H17Cl2FN2O3 MolecularWeight: 423.264983

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3=CC(=C(C=C3)Cl)F)Cl

Isomeric SMILES

C[C@H](CO)N1C=CC2=C(C1=O)C=CC(=C2C(=O)NCC3=CC(=C(C=C3)Cl)F)Cl

InChI

InChI=1S/C20H17Cl2FN2O3/c1-11(10-26)25-7-6-13-14(20(25)28)3-5-16(22)18(13)19(27)24-9-12-2-4-15(21)17(23)8-12/h2-8,11,26H,9-10H2,1H3,(H,24,27)/t11-/m1/s1