4-tert-butyl-N-[3-[2-[[4-[4-(hydroxymethyl)-4-methyl-piperidin-1-yl]carbonylphenyl]amino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[2-[[4-[4-(hydroxymethyl)-4-methyl-piperidin-1-yl]carbonylphenyl]amino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[2-[4-[4-(hydroxymethyl)-4-methyl-piperidine-1-carbonyl]anilino]pyrimidin-4-yl]-2-methyl-phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[2-[4-[[4-(hydroxymethyl)-4-methyl-1-piperidinyl]-oxomethyl]anilino]-4-pyrimidinyl]-2-methylphenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[2-[4-[4-(hydroxymethyl)-4-methylpiperidine-1-carbonyl]anilino]pyrimidin-4-yl]-2-methylphenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-methyl-3-[2-[4-(4-methyl-4-methylol-piperidine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]benzamide Formula: C36H41N5O3 MolecularWeight: 591.74244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N5CCC(CC5)(C)CO

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)N5CCC(CC5)(C)CO

InChI

InChI=1S/C36H41N5O3/c1-24-29(7-6-8-30(24)39-32(43)25-9-13-27(14-10-25)35(2,3)4)31-17-20-37-34(40-31)38-28-15-11-26(12-16-28)33(44)41-21-18-36(5,23-42)19-22-41/h6-17,20,42H,18-19,21-23H2,1-5H3,(H,39,43)(H,37,38,40)