N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoranyl-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoranyl-3-methyl-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-3-methyl-1-oxo-isoquinoline-4-carboxamide CAS Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-3-methyl-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-3-methyl-1-oxoisoquinoline-4-carboxamide Traditional Name: N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-1-keto-3-methyl-isoquinoline-4-carboxamide Formula: C24H24F2N2O3 MolecularWeight: 426.455766

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Descriptors Computed from Structure

Canonical SMILES:

CCON1C(=C(C2=C(C1=O)C(=CC=C2)F)C(=O)NC(C3CCC3)C4=CC(=CC=C4)F)C

Isomeric SMILES

CCON1C(=C(C2=C(C1=O)C(=CC=C2)F)C(=O)N[C@@H](C3CCC3)C4=CC(=CC=C4)F)C

InChI

InChI=1S/C24H24F2N2O3/c1-3-31-28-14(2)20(18-11-6-12-19(26)21(18)24(28)30)23(29)27-22(15-7-4-8-15)16-9-5-10-17(25)13-16/h5-6,9-13,15,22H,3-4,7-8H2,1-2H3,(H,27,29)/t22-/m0/s1