[3-ethanoyl-5-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-phenyl-4H-pyrimidin-2-yl]boron

Systemtic Name: [3-ethanoyl-5-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-phenyl-4H-pyrimidin-2-yl]boron Openeye Name: [3-acetyl-5-[3-(4-methoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-6-methyl-4-phenyl-4H-pyrimidin-2-yl]boron CAS Name: [3-acetyl-5-[[3-(4-methoxycarbonyl-4-phenyl-1-piperidinyl)propylamino]-oxomethyl]-6-methyl-4-phenyl-4H-pyrimidin-2-yl]boron IUPAC Name: [3-acetyl-5-[3-(4-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-phenyl-4H-pyrimidin-2-yl]boron Traditional Name: [3-acetyl-5-[3-(4-carbomethoxy-4-phenyl-piperidino)propylcarbamoyl]-6-methyl-4-phenyl-4H-pyrimidin-2-yl]boron Formula: C30H35BN4O4 MolecularWeight: 526.4343

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=NC(=C(C(N1C(=O)C)C2=CC=CC=C2)C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C

Isomeric SMILES

[B]C1=NC(=C(C(N1C(=O)C)C2=CC=CC=C2)C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C(=O)OC)C

InChI

InChI=1S/C30H35BN4O4/c1-21-25(26(23-11-6-4-7-12-23)35(22(2)36)29(31)33-21)27(37)32-17-10-18-34-19-15-30(16-20-34,28(38)39-3)24-13-8-5-9-14-24/h4-9,11-14,26H,10,15-20H2,1-3H3,(H,32,37)