[(1S,2S,3R,4S,6S)-4-oxidanyl-2,4,6-tripyridin-3-yl-3-pyridin-3-ylcarbonyl-cyclohexyl]-pyridin-3-yl-methanone

Systemtic Name: [(1S,2S,3R,4S,6S)-4-oxidanyl-2,4,6-tripyridin-3-yl-3-pyridin-3-ylcarbonyl-cyclohexyl]-pyridin-3-yl-methanone Openeye Name: [(1S,2S,3R,4S,6S)-4-hydroxy-3-(pyridine-3-carbonyl)-2,4,6-tris(3-pyridyl)cyclohexyl]-(3-pyridyl)methanone CAS Name: [(1S,2S,3R,4S,6S)-4-hydroxy-3-[oxo(3-pyridinyl)methyl]-2,4,6-tris(3-pyridinyl)cyclohexyl]-(3-pyridinyl)methanone IUPAC Name: [(1S,2S,3R,4S,6S)-4-hydroxy-3-(pyridine-3-carbonyl)-2,4,6-tripyridin-3-ylcyclohexyl]-pyridin-3-ylmethanone Traditional Name: [(1S,2S,3R,4S,6S)-4-hydroxy-3-nicotinoyl-2,4,6-tris(3-pyridyl)cyclohexyl]-(3-pyridyl)methanone Formula: C33H27N5O3 MolecularWeight: 541.59918

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1(C2=CN=CC=C2)O)C(=O)C3=CN=CC=C3)C4=CN=CC=C4)C(=O)C5=CN=CC=C5)C6=CN=CC=C6

Isomeric SMILES

C1[C@@H]([C@@H]([C@@H]([C@H]([C@@]1(C2=CN=CC=C2)O)C(=O)C3=CN=CC=C3)C4=CN=CC=C4)C(=O)C5=CN=CC=C5)C6=CN=CC=C6

InChI

InChI=1S/C33H27N5O3/c39-31(24-8-3-13-36-19-24)29-27(22-6-1-11-34-17-22)16-33(41,26-10-5-15-38-21-26)30(28(29)23-7-2-12-35-18-23)32(40)25-9-4-14-37-20-25/h1-15,17-21,27-30,41H,16H2/t27-,28+,29+,30+,33-/m1/s1