N-(3-tert-butylphenyl)-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide

Systemtic Name: N-(3-tert-butylphenyl)-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide Openeye Name: N-(3-tert-butylphenyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridyl)amino]benzamide CAS Name: N-(3-tert-butylphenyl)-4-methyl-3-[[3-(4-pyrimidinyl)-2-pyridinyl]amino]benzamide IUPAC Name: N-(3-tert-butylphenyl)-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide Traditional Name: N-(3-tert-butylphenyl)-4-methyl-3-[[3-(4-pyrimidyl)-2-pyridyl]amino]benzamide Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C)(C)C)NC3=C(C=CC=N3)C4=NC=NC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(C)(C)C)NC3=C(C=CC=N3)C4=NC=NC=C4

InChI

InChI=1S/C27H27N5O/c1-18-10-11-19(26(33)31-21-8-5-7-20(16-21)27(2,3)4)15-24(18)32-25-22(9-6-13-29-25)23-12-14-28-17-30-23/h5-17H,1-4H3,(H,29,32)(H,31,33)