4-cyano-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide

Systemtic Name: 4-cyano-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide Openeye Name: 4-cyano-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide CAS Name: 4-cyano-N-[3-[[4-[4-(1-imidazolyl)phenyl]-2-pyrimidinyl]amino]phenyl]benzamide IUPAC Name: 4-cyano-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide Traditional Name: 4-cyano-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide Formula: C27H19N7O MolecularWeight: 457.48606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N)NC3=NC=CC(=N3)C4=CC=C(C=C4)N5C=CN=C5

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C#N)NC3=NC=CC(=N3)C4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C27H19N7O/c28-17-19-4-6-21(7-5-19)26(35)31-22-2-1-3-23(16-22)32-27-30-13-12-25(33-27)20-8-10-24(11-9-20)34-15-14-29-18-34/h1-16,18H,(H,31,35)(H,30,32,33)