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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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