3-[(6R,9aS)-6-(2-pyridin-2-ylethynyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile

Systemtic Name: 3-[(6R,9aS)-6-(2-pyridin-2-ylethynyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile Openeye Name: 3-[(6R,9aS)-6-[2-(2-pyridyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile CAS Name: 3-[(6R,9aS)-6-[2-(2-pyridinyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-pyrazinecarbonitrile IUPAC Name: 3-[(6R,9aS)-6-(2-pyridin-2-ylethynyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyrazine-2-carbonitrile Traditional Name: 3-[(6R,9aS)-6-[2-(2-pyridyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]pyrazinonitrile Formula: C20H20N6 MolecularWeight: 344.413

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CCN2C(C1)C#CC3=CC=CC=N3)C4=NC=CN=C4C#N

Isomeric SMILES

C1C[C@H]2CN(CCN2[C@H](C1)C#CC3=CC=CC=N3)C4=NC=CN=C4C#N

InChI

InChI=1S/C20H20N6/c21-14-19-20(24-11-10-23-19)25-12-13-26-17(5-3-6-18(26)15-25)8-7-16-4-1-2-9-22-16/h1-2,4,9-11,17-18H,3,5-6,12-13,15H2/t17-,18+/m1/s1