3-[3-ethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-4-yn-3-yl]oxypropanenitrile

Systemtic Name: 3-[3-ethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-4-yn-3-yl]oxypropanenitrile Openeye Name: 3-[1,1-diethyl-4-[(2R)-2-(3-pyridyl)-1-piperidyl]but-2-ynoxy]propanenitrile CAS Name: 3-[3-ethyl-6-[(2R)-2-(3-pyridinyl)-1-piperidinyl]hex-4-yn-3-yl]oxypropanenitrile IUPAC Name: 3-[3-ethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-4-yn-3-yl]oxypropanenitrile Traditional Name: 3-[1,1-diethyl-4-[(2R)-2-(3-pyridyl)piperidino]but-2-ynoxy]propionitrile Formula: C21H29N3O MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#CCN1CCCCC1C2=CN=CC=C2)OCCC#N

Isomeric SMILES

CCC(CC)(C#CCN1CCCC[C@@H]1C2=CN=CC=C2)OCCC#N

InChI

InChI=1S/C21H29N3O/c1-3-21(4-2,25-17-9-13-22)12-8-16-24-15-6-5-11-20(24)19-10-7-14-23-18-19/h7,10,14,18,20H,3-6,9,11,15-17H2,1-2H3/t20-/m1/s1