8-fluoranyl-N-[(S)-(3-fluorophenyl)-(2-oxidanylidenecyclopropyl)methyl]-3-methyl-2-pyrimidin-5-yl-1H-isoquinoline-4-carboxamide

Systemtic Name: 8-fluoranyl-N-[(S)-(3-fluorophenyl)-(2-oxidanylidenecyclopropyl)methyl]-3-methyl-2-pyrimidin-5-yl-1H-isoquinoline-4-carboxamide Openeye Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-pyrimidin-5-yl-1H-isoquinoline-4-carboxamide CAS Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-(5-pyrimidinyl)-1H-isoquinoline-4-carboxamide IUPAC Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-pyrimidin-5-yl-1H-isoquinoline-4-carboxamide Traditional Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-ketocyclopropyl)methyl]-3-methyl-2-(5-pyrimidyl)-1H-isoquinoline-4-carboxamide Formula: C25H20F2N4O2 MolecularWeight: 446.448706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CN1C3=CN=CN=C3)C(=CC=C2)F)C(=O)NC(C4CC4=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(CN1C3=CN=CN=C3)C(=CC=C2)F)C(=O)N[C@@H](C4CC4=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C25H20F2N4O2/c1-14-23(25(33)30-24(19-9-22(19)32)15-4-2-5-16(26)8-15)18-6-3-7-21(27)20(18)12-31(14)17-10-28-13-29-11-17/h2-8,10-11,13,19,24H,9,12H2,1H3,(H,30,33)/t19?,24-/m1/s1