N-(2-methylphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide

Systemtic Name: N-(2-methylphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-(o-tolyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-(2-methylphenyl)-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(2-methylphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(o-tolyl)-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C28H28N6O MolecularWeight: 464.56152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O/c1-21-8-5-6-13-25(21)31-27(35)22-9-7-10-23(20-22)30-26-14-15-29-28(32-26)34-18-16-33(17-19-34)24-11-3-2-4-12-24/h2-15,20H,16-19H2,1H3,(H,31,35)(H,29,30,32)