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

Systemtic Name: N-[[4-(azepan-1-yl)-3-fluoranyl-phenyl]methyl]-2-isoquinolin-5-yl-propanamide Openeye Name: N-[[4-(azepan-1-yl)-3-fluoro-phenyl]methyl]-2-(5-isoquinolyl)propanamide CAS Name: N-[[4-(1-azepanyl)-3-fluorophenyl]methyl]-2-(5-isoquinolinyl)propanamide IUPAC Name: N-[[4-(azepan-1-yl)-3-fluorophenyl]methyl]-2-isoquinolin-5-ylpropanamide Traditional Name: N-[4-(azepan-1-yl)-3-fluoro-benzyl]-2-(5-isoquinolyl)propionamide Formula: C25H28FN3O MolecularWeight: 405.507723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC(=C(C=C3)N4CCCCCC4)F

Isomeric SMILES

CC(C1=CC=CC2=C1C=CN=C2)C(=O)NCC3=CC(=C(C=C3)N4CCCCCC4)F

InChI

InChI=1S/C25H28FN3O/c1-18(21-8-6-7-20-17-27-12-11-22(20)21)25(30)28-16-19-9-10-24(23(26)15-19)29-13-4-2-3-5-14-29/h6-12,15,17-18H,2-5,13-14,16H2,1H3,(H,28,30)