4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[[2-[6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]phenyl]amino]phenyl]benzamide

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[[2-[6-[[4-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]phenyl]amino]phenyl]benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[2-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]anilino]phenyl]benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[3-[2-[6-[4-(trifluoromethyl)anilino]-4-pyrimidinyl]anilino]phenyl]benzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[2-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]anilino]phenyl]benzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[3-[2-[6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]anilino]phenyl]benzamide Formula: C36H34F3N7O MolecularWeight: 637.69667

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)NC4=CC=CC=C4C5=CC(=NC=N5)NC6=CC=C(C=C6)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)NC4=CC=CC=C4C5=CC(=NC=N5)NC6=CC=C(C=C6)C(F)(F)F

InChI

InChI=1S/C36H34F3N7O/c1-45-17-19-46(20-18-45)23-25-9-11-26(12-10-25)35(47)44-30-6-4-5-29(21-30)42-32-8-3-2-7-31(32)33-22-34(41-24-40-33)43-28-15-13-27(14-16-28)36(37,38)39/h2-16,21-22,24,42H,17-20,23H2,1H3,(H,44,47)(H,40,41,43)