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

Systemtic Name: 8-fluoranyl-3-methyl-N-[(S)-(2-oxidanylidenecyclobutyl)-phenyl-methyl]-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide Openeye Name: 8-fluoro-3-methyl-N-[(S)-(2-oxocyclobutyl)-phenyl-methyl]-2-(3-pyridyl)-1H-isoquinoline-4-carboxamide CAS Name: 8-fluoro-3-methyl-N-[(S)-(2-oxocyclobutyl)-phenylmethyl]-2-(3-pyridinyl)-1H-isoquinoline-4-carboxamide IUPAC Name: 8-fluoro-3-methyl-N-[(S)-(2-oxocyclobutyl)-phenylmethyl]-2-pyridin-3-yl-1H-isoquinoline-4-carboxamide Traditional Name: 8-fluoro-N-[(S)-(2-ketocyclobutyl)-phenyl-methyl]-3-methyl-2-(3-pyridyl)-1H-isoquinoline-4-carboxamide Formula: C27H24FN3O2 MolecularWeight: 441.496763

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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

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

InChI

InChI=1S/C27H24FN3O2/c1-17-25(27(33)30-26(21-12-13-24(21)32)18-7-3-2-4-8-18)20-10-5-11-23(28)22(20)16-31(17)19-9-6-14-29-15-19/h2-11,14-15,21,26H,12-13,16H2,1H3,(H,30,33)/t21?,26-/m1/s1