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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3CCN(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)N3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C28H29N7O/c1-20-5-8-23(18-26(20)33-28-30-13-11-25(32-28)22-4-3-12-29-19-22)31-27(36)21-6-9-24(10-7-21)35-16-14-34(2)15-17-35/h3-13,18-19H,14-17H2,1-2H3,(H,31,36)(H,30,32,33)