N-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]-3-fluoranyl-benzamide

Systemtic Name: N-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[5-(4-ethoxyphenyl)-8-isoquinolyl]methyl]-3-fluoro-benzamide CAS Name: N-[[5-(4-ethoxyphenyl)-8-isoquinolinyl]methyl]-3-fluorobenzamide IUPAC Name: N-[[5-(4-ethoxyphenyl)isoquinolin-8-yl]methyl]-3-fluorobenzamide Traditional Name: 3-fluoro-N-[(5-p-phenetyl-8-isoquinolyl)methyl]benzamide Formula: C25H21FN2O2 MolecularWeight: 400.444843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21FN2O2/c1-2-30-21-9-6-17(7-10-21)22-11-8-19(24-16-27-13-12-23(22)24)15-28-25(29)18-4-3-5-20(26)14-18/h3-14,16H,2,15H2,1H3,(H,28,29)