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

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[[5-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[5-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(5-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[4-methyl-3-[[5-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C29H31N7O MolecularWeight: 493.60274

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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)NC4=NC=C(C=N4)C5=CN=CC=C5

Isomeric SMILES

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

InChI

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