N-[3-chloranyl-2,5,6-tris(fluoranyl)pyridin-4-yl]-4-oxidanyl-1-phenyl-isoquinoline-3-carboxamide

Systemtic Name: N-[3-chloranyl-2,5,6-tris(fluoranyl)pyridin-4-yl]-4-oxidanyl-1-phenyl-isoquinoline-3-carboxamide Openeye Name: N-(3-chloro-2,5,6-trifluoro-4-pyridyl)-4-hydroxy-1-phenyl-isoquinoline-3-carboxamide CAS Name: N-(3-chloro-2,5,6-trifluoro-4-pyridinyl)-4-hydroxy-1-phenyl-3-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-2,5,6-trifluoropyridin-4-yl)-4-hydroxy-1-phenylisoquinoline-3-carboxamide Traditional Name: N-(3-chloro-2,5,6-trifluoro-4-pyridyl)-4-hydroxy-1-phenyl-isoquinoline-3-carboxamide Formula: C21H11ClF3N3O2 MolecularWeight: 429.77915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NC4=C(C(=NC(=C4Cl)F)F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)O)C(=O)NC4=C(C(=NC(=C4Cl)F)F)F

InChI

InChI=1S/C21H11ClF3N3O2/c22-13-16(14(23)20(25)28-19(13)24)27-21(30)17-18(29)12-9-5-4-8-11(12)15(26-17)10-6-2-1-3-7-10/h1-9,29H,(H,27,28,30)