3,5-bis(bromanyl)-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 3,5-dibromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 3,5-dibromo-4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 3,5-dibromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 3,5-dibromo-4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C29H29Br2N7O MolecularWeight: 651.39486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29Br2N7O/c1-19-5-6-22(16-27(19)36-29-33-9-7-26(35-29)20-4-3-8-32-17-20)34-28(39)21-14-24(30)23(25(31)15-21)18-38-12-10-37(2)11-13-38/h3-9,14-17H,10-13,18H2,1-2H3,(H,34,39)(H,33,35,36)