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

Systemtic Name: N-(3-methoxyphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Openeye Name: N-(3-methoxyphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide CAS Name: N-(3-methoxyphenyl)-3-[[2-(4-phenyl-1-piperazinyl)-4-pyrimidinyl]amino]benzamide IUPAC Name: N-(3-methoxyphenyl)-3-[[2-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]amino]benzamide Traditional Name: N-(3-methoxyphenyl)-3-[[2-(4-phenylpiperazino)pyrimidin-4-yl]amino]benzamide Formula: C28H28N6O2 MolecularWeight: 480.56092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=CC(=CC=C2)NC3=NC(=NC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O2/c1-36-25-12-6-9-23(20-25)31-27(35)21-7-5-8-22(19-21)30-26-13-14-29-28(32-26)34-17-15-33(16-18-34)24-10-3-2-4-11-24/h2-14,19-20H,15-18H2,1H3,(H,31,35)(H,29,30,32)