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

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-3-fluoranyl-benzamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]-3-fluoro-benzamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolinyl]methyl]-3-fluorobenzamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-3-fluorobenzamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]-3-fluoro-benzamide Formula: C25H21FN2O3 MolecularWeight: 416.444243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C4=CC(=CC=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CN=CC3=C(C=C2)CNC(=O)C4=CC(=CC=C4)F)OC

InChI

InChI=1S/C25H21FN2O3/c1-30-23-9-7-16(13-24(23)31-2)20-8-6-18(22-15-27-11-10-21(20)22)14-28-25(29)17-4-3-5-19(26)12-17/h3-13,15H,14H2,1-2H3,(H,28,29)