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

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-(2-bromanyl-4-methyl-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(2,4-difluorophenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(2,4-difluorophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(2,4-difluorophenyl)-1-keto-isoquinoline-4-carboxamide Formula: C23H15BrF2N2O2 MolecularWeight: 469.278206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=C(C=C(C=C4)F)F)Br

InChI

InChI=1S/C23H15BrF2N2O2/c1-13-6-8-20(18(24)10-13)27-22(29)17-12-28(21-9-7-14(25)11-19(21)26)23(30)16-5-3-2-4-15(16)17/h2-12H,1H3,(H,27,29)