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

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-N-butan-2-yl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(2,4-difluorophenyl)-1-oxo-N-sec-butyl-isoquinoline-4-carboxamide CAS Name: N-butan-2-yl-2-(2,4-difluorophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-2-(2,4-difluorophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(2,4-difluorophenyl)-1-keto-N-sec-butyl-isoquinoline-4-carboxamide Formula: C20H18F2N2O2 MolecularWeight: 356.365926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)F)F

Isomeric SMILES

CCC(C)NC(=O)C1=CN(C(=O)C2=CC=CC=C21)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C20H18F2N2O2/c1-3-12(2)23-19(25)16-11-24(18-9-8-13(21)10-17(18)22)20(26)15-7-5-4-6-14(15)16/h4-12H,3H2,1-2H3,(H,23,25)