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

Systemtic Name: 4-cyano-N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide Openeye Name: 4-cyano-N-[4-methyl-3-[[4-(4-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-cyano-N-[4-methyl-3-[(4-pyridin-4-yl-2-pyrimidinyl)amino]phenyl]benzamide IUPAC Name: 4-cyano-N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide Traditional Name: 4-cyano-N-[4-methyl-3-[[4-(4-pyridyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C24H18N6O MolecularWeight: 406.43932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N6O/c1-16-2-7-20(28-23(31)19-5-3-17(15-25)4-6-19)14-22(16)30-24-27-13-10-21(29-24)18-8-11-26-12-9-18/h2-14H,1H3,(H,28,31)(H,27,29,30)