4-(dimethylaminomethyl)-N-(3-isoquinolin-7-yl-4-methyl-phenyl)-3-(trifluoromethyl)benzamide

Systemtic Name: 4-(dimethylaminomethyl)-N-(3-isoquinolin-7-yl-4-methyl-phenyl)-3-(trifluoromethyl)benzamide Openeye Name: 4-(dimethylaminomethyl)-N-[3-(7-isoquinolyl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide CAS Name: 4-(dimethylaminomethyl)-N-[3-(7-isoquinolinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide IUPAC Name: 4-(dimethylaminomethyl)-N-(3-isoquinolin-7-yl-4-methylphenyl)-3-(trifluoromethyl)benzamide Traditional Name: 4-(dimethylaminomethyl)-N-[3-(7-isoquinolyl)-4-methyl-phenyl]-3-(trifluoromethyl)benzamide Formula: C27H24F3N3O MolecularWeight: 463.49417

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN(C)C)C(F)(F)F)C3=CC4=C(C=C3)C=CN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN(C)C)C(F)(F)F)C3=CC4=C(C=C3)C=CN=C4

InChI

InChI=1S/C27H24F3N3O/c1-17-4-9-23(14-24(17)19-6-5-18-10-11-31-15-22(18)12-19)32-26(34)20-7-8-21(16-33(2)3)25(13-20)27(28,29)30/h4-15H,16H2,1-3H3,(H,32,34)