N-[[4-(azepan-1-yl)-3-fluoranyl-phenyl]methyl]-2-isoquinolin-5-yl-ethanamide

Systemtic Name: N-[[4-(azepan-1-yl)-3-fluoranyl-phenyl]methyl]-2-isoquinolin-5-yl-ethanamide Openeye Name: N-[[4-(azepan-1-yl)-3-fluoro-phenyl]methyl]-2-(5-isoquinolyl)acetamide CAS Name: N-[[4-(1-azepanyl)-3-fluorophenyl]methyl]-2-(5-isoquinolinyl)acetamide IUPAC Name: N-[[4-(azepan-1-yl)-3-fluorophenyl]methyl]-2-isoquinolin-5-ylacetamide Traditional Name: N-[4-(azepan-1-yl)-3-fluoro-benzyl]-2-(5-isoquinolyl)acetamide Formula: C24H26FN3O MolecularWeight: 391.481143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)CNC(=O)CC3=CC=CC4=C3C=CN=C4)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)CNC(=O)CC3=CC=CC4=C3C=CN=C4)F

InChI

InChI=1S/C24H26FN3O/c25-22-14-18(8-9-23(22)28-12-3-1-2-4-13-28)16-27-24(29)15-19-6-5-7-20-17-26-11-10-21(19)20/h5-11,14,17H,1-4,12-13,15-16H2,(H,27,29)