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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

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