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

Systemtic Name: N-[[4-(azepan-1-yl)-3-fluoranyl-phenyl]methyl]-2-isoquinolin-5-yl-butanamide Openeye Name: N-[[4-(azepan-1-yl)-3-fluoro-phenyl]methyl]-2-(5-isoquinolyl)butanamide CAS Name: N-[[4-(1-azepanyl)-3-fluorophenyl]methyl]-2-(5-isoquinolinyl)butanamide IUPAC Name: N-[[4-(azepan-1-yl)-3-fluorophenyl]methyl]-2-isoquinolin-5-ylbutanamide Traditional Name: N-[4-(azepan-1-yl)-3-fluoro-benzyl]-2-(5-isoquinolyl)butyramide Formula: C26H30FN3O MolecularWeight: 419.534303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30FN3O/c1-2-21(23-9-7-8-20-18-28-13-12-22(20)23)26(31)29-17-19-10-11-25(24(27)16-19)30-14-5-3-4-6-15-30/h7-13,16,18,21H,2-6,14-15,17H2,1H3,(H,29,31)