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

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[4-(4-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[(4-pyridin-4-yl-2-pyrimidinyl)amino]phenyl]benzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[4-(4-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C29H31N7O MolecularWeight: 493.60274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N7O/c1-21-3-8-25(19-27(21)34-29-31-14-11-26(33-29)23-9-12-30-13-10-23)32-28(37)24-6-4-22(5-7-24)20-36-17-15-35(2)16-18-36/h3-14,19H,15-18,20H2,1-2H3,(H,32,37)(H,31,33,34)