[4-[2-phenyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazol-4-yl]carbonylpiperazin-1-yl]carbonylboron

Systemtic Name: [4-[2-phenyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazol-4-yl]carbonylpiperazin-1-yl]carbonylboron Openeye Name: [4-[2-phenyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazole-4-carbonyl]piperazine-1-carbonyl]boron CAS Name: [oxo-[4-[oxo-[2-phenyl-1-[2-(1-phenylethylamino)-4-pyrimidinyl]-4-imidazolyl]methyl]-1-piperazinyl]methyl]boron IUPAC Name: [4-[2-phenyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazole-4-carbonyl]piperazine-1-carbonyl]boron Traditional Name: [4-[2-phenyl-1-[2-(1-phenylethylamino)pyrimidin-4-yl]imidazole-4-carbonyl]piperazine-1-carbonyl]boron Formula: C27H26BN7O2 MolecularWeight: 491.35204

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)N1CCN(CC1)C(=O)C2=CN(C(=N2)C3=CC=CC=C3)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

Isomeric SMILES

[B]C(=O)N1CCN(CC1)C(=O)C2=CN(C(=N2)C3=CC=CC=C3)C4=NC(=NC=C4)NC(C)C5=CC=CC=C5

InChI

InChI=1S/C27H26BN7O2/c1-19(20-8-4-2-5-9-20)30-27-29-13-12-23(32-27)35-18-22(31-24(35)21-10-6-3-7-11-21)25(36)33-14-16-34(17-15-33)26(28)37/h2-13,18-19H,14-17H2,1H3,(H,29,30,32)