N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-(4-chlorophenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-2-(4-chlorophenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-2-(4-chlorophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-2-(4-chlorophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-2-(4-chlorophenyl)-1-keto-isoquinoline-4-carboxamide Formula: C22H12BrClF2N2O2 MolecularWeight: 489.696686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=C(C=C(C=C4Br)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=C(C=C(C=C4Br)F)F

InChI

InChI=1S/C22H12BrClF2N2O2/c23-18-9-13(25)10-19(26)20(18)27-21(29)17-11-28(14-7-5-12(24)6-8-14)22(30)16-4-2-1-3-15(16)17/h1-11H,(H,27,29)