3-[1-(2-ethynylpyridin-3-yl)carbonylpiperidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[1-(2-ethynylpyridin-3-yl)carbonylpiperidin-4-yl]benzenecarbonitrile Openeye Name: 3-[1-(2-ethynylpyridine-3-carbonyl)-4-piperidyl]benzonitrile CAS Name: 3-[1-[(2-ethynyl-3-pyridinyl)-oxomethyl]-4-piperidinyl]benzonitrile IUPAC Name: 3-[1-(2-ethynylpyridine-3-carbonyl)piperidin-4-yl]benzonitrile Traditional Name: 3-[1-(2-ethynylnicotinoyl)-4-piperidyl]benzonitrile Formula: C20H17N3O MolecularWeight: 315.36848

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=CC=CC(=C3)C#N

Isomeric SMILES

C#CC1=C(C=CC=N1)C(=O)N2CCC(CC2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H17N3O/c1-2-19-18(7-4-10-22-19)20(24)23-11-8-16(9-12-23)17-6-3-5-15(13-17)14-21/h1,3-7,10,13,16H,8-9,11-12H2