2-(1-adamantyl)-N-[2-[2-(2-fluoranylphenoxy)pyridin-3-yl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[2-[2-(2-fluoranylphenoxy)pyridin-3-yl]-1-oxidanylidene-isoquinolin-5-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[2-[2-(2-fluorophenoxy)-3-pyridyl]-1-oxo-5-isoquinolyl]acetamide CAS Name: 2-(1-adamantyl)-N-[2-[2-(2-fluorophenoxy)-3-pyridinyl]-1-oxo-5-isoquinolinyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[2-[2-(2-fluorophenoxy)pyridin-3-yl]-1-oxoisoquinolin-5-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[2-[2-(2-fluorophenoxy)-3-pyridyl]-1-keto-5-isoquinolyl]acetamide Formula: C32H30FN3O3 MolecularWeight: 523.597303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)C6=C(N=CC=C6)OC7=CC=CC=C7F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC5=C4C=CN(C5=O)C6=C(N=CC=C6)OC7=CC=CC=C7F

InChI

InChI=1S/C32H30FN3O3/c33-25-6-1-2-9-28(25)39-30-27(8-4-11-34-30)36-12-10-23-24(31(36)38)5-3-7-26(23)35-29(37)19-32-16-20-13-21(17-32)15-22(14-20)18-32/h1-12,20-22H,13-19H2,(H,35,37)