(3R,4S)-3-oxidanyl-3-pyridin-4-yl-4-pyridin-4-ylcarbonyl-cyclohexan-1-one

Systemtic Name: (3R,4S)-3-oxidanyl-3-pyridin-4-yl-4-pyridin-4-ylcarbonyl-cyclohexan-1-one Openeye Name: (3R,4S)-3-hydroxy-4-(pyridine-4-carbonyl)-3-(4-pyridyl)cyclohexanone CAS Name: (3R,4S)-3-hydroxy-4-[oxo(pyridin-4-yl)methyl]-3-pyridin-4-yl-1-cyclohexanone IUPAC Name: (3R,4S)-3-hydroxy-4-(pyridine-4-carbonyl)-3-pyridin-4-ylcyclohexan-1-one Traditional Name: (3R,4S)-3-hydroxy-4-isonicotinoyl-3-(4-pyridyl)cyclohexanone Formula: C17H16N2O3 MolecularWeight: 296.32054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC(C1C(=O)C2=CC=NC=C2)(C3=CC=NC=C3)O

Isomeric SMILES

C1CC(=O)C[C@@]([C@H]1C(=O)C2=CC=NC=C2)(C3=CC=NC=C3)O

InChI

InChI=1S/C17H16N2O3/c20-14-1-2-15(16(21)12-3-7-18-8-4-12)17(22,11-14)13-5-9-19-10-6-13/h3-10,15,22H,1-2,11H2/t15-,17+/m1/s1