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

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[[4-(2-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[3-[[4-(2-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[3-[[4-(2-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C28H29N7O MolecularWeight: 479.57616

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)NC4=NC=CC(=N4)C5=CC=CC=N5

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)NC4=NC=CC(=N4)C5=CC=CC=N5

InChI

InChI=1S/C28H29N7O/c1-34-15-17-35(18-16-34)20-21-8-10-22(11-9-21)27(36)31-23-5-4-6-24(19-23)32-28-30-14-12-26(33-28)25-7-2-3-13-29-25/h2-14,19H,15-18,20H2,1H3,(H,31,36)(H,30,32,33)