2-[(1R,3R)-3-(phenylcarbonyl)cyclohexyl]pyridine-4-carbonitrile

Systemtic Name: 2-[(1R,3R)-3-(phenylcarbonyl)cyclohexyl]pyridine-4-carbonitrile Openeye Name: 2-[(1R,3R)-3-benzoylcyclohexyl]pyridine-4-carbonitrile CAS Name: 2-[(1R,3R)-3-benzoylcyclohexyl]-4-pyridinecarbonitrile IUPAC Name: 2-[(1R,3R)-3-benzoylcyclohexyl]pyridine-4-carbonitrile Traditional Name: 2-[(1R,3R)-3-benzoylcyclohexyl]isonicotinonitrile Formula: C19H18N2O MolecularWeight: 290.35902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)C(=O)C2=CC=CC=C2)C3=NC=CC(=C3)C#N

Isomeric SMILES

C1C[C@H](C[C@@H](C1)C(=O)C2=CC=CC=C2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C19H18N2O/c20-13-14-9-10-21-18(11-14)16-7-4-8-17(12-16)19(22)15-5-2-1-3-6-15/h1-3,5-6,9-11,16-17H,4,7-8,12H2/t16-,17-/m1/s1