N-(4-isoquinolin-5-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-(4-isoquinolin-5-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide Openeye Name: N-[4-(5-isoquinolyl)phenyl]-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide CAS Name: N-[4-(5-isoquinolinyl)phenyl]-4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)benzamide IUPAC Name: N-(4-isoquinolin-5-ylphenyl)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)benzamide Traditional Name: N-[4-(5-isoquinolyl)phenyl]-4-(4-methylpiperazino)-3-(trifluoromethyl)benzamide Formula: C28H25F3N4O MolecularWeight: 490.51951

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC5=C4C=CN=C5)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC5=C4C=CN=C5)C(F)(F)F

InChI

InChI=1S/C28H25F3N4O/c1-34-13-15-35(16-14-34)26-10-7-20(17-25(26)28(29,30)31)27(36)33-22-8-5-19(6-9-22)23-4-2-3-21-18-32-12-11-24(21)23/h2-12,17-18H,13-16H2,1H3,(H,33,36)