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

Systemtic Name: 4-[[(4-methylpiperazin-1-yl)amino]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[[(4-methylpiperazin-1-yl)amino]methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[[(4-methyl-1-piperazinyl)amino]methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[[(4-methylpiperazin-1-yl)amino]methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[[(4-methylpiperazino)amino]methyl]-N-[4-methyl-3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C29H32N8O MolecularWeight: 508.61738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CNN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CNN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C29H32N8O/c1-21-5-10-25(18-27(21)35-29-31-13-11-26(34-29)24-4-3-12-30-20-24)33-28(38)23-8-6-22(7-9-23)19-32-37-16-14-36(2)15-17-37/h3-13,18,20,32H,14-17,19H2,1-2H3,(H,33,38)(H,31,34,35)