3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridazin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridazin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridazin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide CAS Name: 3-bromo-4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridazinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridazin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 3-bromo-4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[(4-pyridazin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Formula: C28H29BrN8O MolecularWeight: 573.48686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)Br)NC4=NC=CC(=N4)C5=NN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)Br)NC4=NC=CC(=N4)C5=NN=CC=C5

InChI

InChI=1S/C28H29BrN8O/c1-19-5-8-22(17-26(19)34-28-30-11-9-24(33-28)25-4-3-10-31-35-25)32-27(38)20-6-7-21(23(29)16-20)18-37-14-12-36(2)13-15-37/h3-11,16-17H,12-15,18H2,1-2H3,(H,32,38)(H,30,33,34)