3-isoquinolin-7-yl-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-isoquinolin-7-yl-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(7-isoquinolyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-(7-isoquinolinyl)-4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-isoquinolin-7-yl-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(7-isoquinolyl)-4-methyl-N-[4-[(4-methylpiperazino)methyl]-3-(trifluoromethyl)phenyl]benzamide Formula: C30H29F3N4O MolecularWeight: 518.57267

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C4=CC5=C(C=C4)C=CN=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C4=CC5=C(C=C4)C=CN=C5

InChI

InChI=1S/C30H29F3N4O/c1-20-3-4-23(16-27(20)22-6-5-21-9-10-34-18-25(21)15-22)29(38)35-26-8-7-24(28(17-26)30(31,32)33)19-37-13-11-36(2)12-14-37/h3-10,15-18H,11-14,19H2,1-2H3,(H,35,38)