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

Systemtic Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]-4-(trifluoromethyl)benzamide CAS Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolinyl]methyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[[5-(3,4-dimethoxyphenyl)isoquinolin-8-yl]methyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[[5-(3,4-dimethoxyphenyl)-8-isoquinolyl]methyl]-4-(trifluoromethyl)benzamide Formula: C26H21F3N2O3 MolecularWeight: 466.45175

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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=C(C=C4)C(F)(F)F)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H21F3N2O3/c1-33-23-10-6-17(13-24(23)34-2)20-9-5-18(22-15-30-12-11-21(20)22)14-31-25(32)16-3-7-19(8-4-16)26(27,28)29/h3-13,15H,14H2,1-2H3,(H,31,32)