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

Systemtic Name: 8-fluoranyl-N-[(S)-(4-fluorophenyl)-(2-oxidanylidenecyclopropyl)methyl]-3-methyl-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide Openeye Name: 8-fluoro-N-[(S)-(4-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-(3-pyridyl)-1H-isoquinoline-4-carboxamide CAS Name: 8-fluoro-N-[(S)-(4-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-(3-pyridinyl)-1H-isoquinoline-4-carboxamide IUPAC Name: 8-fluoro-N-[(S)-(4-fluorophenyl)-(2-oxocyclopropyl)methyl]-3-methyl-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide Traditional Name: 8-fluoro-N-[(S)-(4-fluorophenyl)-(2-ketocyclopropyl)methyl]-3-methyl-2-(3-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=CN=CC=C3)C(=CC=C2)F)C(=O)NC(C4CC4=O)C5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C26H21F2N3O2/c1-15-24(26(33)30-25(20-12-23(20)32)16-7-9-17(27)10-8-16)19-5-2-6-22(28)21(19)14-31(15)18-4-3-11-29-13-18/h2-11,13,20,25H,12,14H2,1H3,(H,30,33)/t20?,25-/m1/s1