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

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[[4-(3-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-[(4-methylpiperazino)methyl]-N-[4-[[4-(3-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=C(C=C3)NC4=NC=CC(=N4)C5=CN=CC=C5

Isomeric SMILES

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

InChI

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