3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyridin-2-yl)amino]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyridin-2-yl)amino]phenyl]benzamide Openeye Name: 3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-yl-2-pyridyl)amino]phenyl]benzamide CAS Name: 3-bromo-4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyridinyl]amino]phenyl]benzamide IUPAC Name: 3-bromo-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyridin-2-yl)amino]phenyl]benzamide Traditional Name: 3-bromo-4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(5-pyrimidyl)-2-pyridyl]amino]phenyl]benzamide Formula: C29H30BrN7O MolecularWeight: 572.4988

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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(=C4)C5=CN=CN=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)Br)NC4=NC=CC(=C4)C5=CN=CN=C5

InChI

InChI=1S/C29H30BrN7O/c1-20-3-6-25(15-27(20)35-28-14-21(7-8-33-28)24-16-31-19-32-17-24)34-29(38)22-4-5-23(26(30)13-22)18-37-11-9-36(2)10-12-37/h3-8,13-17,19H,9-12,18H2,1-2H3,(H,33,35)(H,34,38)