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

Systemtic Name: 8-fluoranyl-N-[(S)-(3-fluorophenyl)-(2-oxidanylidenecyclobutyl)methyl]-3-methyl-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide Openeye Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclobutyl)methyl]-3-methyl-2-(3-pyridyl)-1H-isoquinoline-4-carboxamide CAS Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclobutyl)methyl]-3-methyl-2-(3-pyridinyl)-1H-isoquinoline-4-carboxamide IUPAC Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-oxocyclobutyl)methyl]-3-methyl-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide Traditional Name: 8-fluoro-N-[(S)-(3-fluorophenyl)-(2-ketocyclobutyl)methyl]-3-methyl-2-(3-pyridyl)-1H-isoquinoline-4-carboxamide Formula: C27H23F2N3O2 MolecularWeight: 459.487226

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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(C4CCC4=O)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=C(C2=C(CN1C3=CN=CC=C3)C(=CC=C2)F)C(=O)N[C@@H](C4CCC4=O)C5=CC(=CC=C5)F

InChI

InChI=1S/C27H23F2N3O2/c1-16-25(20-8-3-9-23(29)22(20)15-32(16)19-7-4-12-30-14-19)27(34)31-26(21-10-11-24(21)33)17-5-2-6-18(28)13-17/h2-9,12-14,21,26H,10-11,15H2,1H3,(H,31,34)/t21?,26-/m1/s1