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

Systemtic Name: 8-fluoranyl-N-[(S)-(3-fluorophenyl)-(2-oxidanylidenecyclopropyl)methyl]-3-methyl-2-pyridin-2-yl-1H-isoquinoline-4-carboxamide Openeye Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-(2-pyridyl)-1H-isoquinoline-4-carboxamide CAS Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-(2-pyridinyl)-1H-isoquinoline-4-carboxamide IUPAC Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-pyridin-2-yl-1H-isoquinoline-4-carboxamide Traditional Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-ketocyclopropyl)methyl]-3-methyl-2-(2-pyridyl)-1H-isoquinoline-4-carboxamide Formula: C26H21F2N3O2 MolecularWeight: 445.460646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(CN1C3=CC=CC=N3)C(=CC=C2)F)C(=O)NC(C4CC4=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(CN1C3=CC=CC=N3)C(=CC=C2)F)C(=O)N[C@@H](C4CC4=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C26H21F2N3O2/c1-15-24(26(33)30-25(19-13-22(19)32)16-6-4-7-17(27)12-16)18-8-5-9-21(28)20(18)14-31(15)23-10-2-3-11-29-23/h2-12,19,25H,13-14H2,1H3,(H,30,33)/t19?,25-/m1/s1