2-[(6R,9aS)-6-[2-(3-cyanophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoranyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6R,9aS)-6-[2-(3-cyanophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoranyl-pyridine-3-carbonitrile Openeye Name: 2-[(6R,9aS)-6-[2-(3-cyanophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-pyridine-3-carbonitrile CAS Name: 2-[(6R,9aS)-6-[2-(3-cyanophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-3-pyridinecarbonitrile IUPAC Name: 2-[(6R,9aS)-6-[2-(3-cyanophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile Traditional Name: 2-[(6R,9aS)-6-[2-(3-cyanophenyl)ethynyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-5-fluoro-nicotinonitrile Formula: C23H20FN5 MolecularWeight: 385.436803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CCN2C(C1)C#CC3=CC(=CC=C3)C#N)C4=NC=C(C=C4C#N)F

Isomeric SMILES

C1C[C@H]2CN(CCN2[C@H](C1)C#CC3=CC(=CC=C3)C#N)C4=NC=C(C=C4C#N)F

InChI

InChI=1S/C23H20FN5/c24-20-12-19(14-26)23(27-15-20)28-9-10-29-21(5-2-6-22(29)16-28)8-7-17-3-1-4-18(11-17)13-25/h1,3-4,11-12,15,21-22H,2,5-6,9-10,16H2/t21-,22+/m1/s1